General Information of the Compound
Compound ID
CP0005567
Compound Name
N-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]butanamide
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Structure
Formula
C15H16N2O2S
Molecular Weight
288.372
Canonical SMILES
ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1
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InChI
InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+
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InChIKey
HJPIJALRLZVGMS-MDZDMXLPSA-N
Physicochemical Property
logP
3.1416
Rotatable Bonds
6
Heavy Atom Count
20
Polar Areas
62.22
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
20

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 102514716
ChEMBL ID
CHEMBL3792392