3,4-dihydroxy-4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide

C13H14N2O4S — CID 171900007

IUPAC3,4-dihydroxy-4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide
SMILESNC(=O)CC(O)C(O)c1ccc(-c2csc(=O)[nH]2)cc1
InChIInChI=1S/C13H14N2O4S/c14-11(17)5-10(16)12(18)8-3-1-7(2-4-8)9-6-20-13(19)15-9/h1-4,6,10,12,16,18H,5H2,(H2,14,17)(H,15,19)
InChIKeyCFEKNFWOTGKCHB-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.37
Rot. Bonds5

About 3,4-dihydroxy-4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide

3,4-dihydroxy-4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 171900007) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3,4-dihydroxy-4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID171900007
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name3,4-dihydroxy-4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide
SMILESNC(=O)CC(O)C(O)c1ccc(-c2csc(=O)[nH]2)cc1
InChIInChI=1S/C13H14N2O4S/c14-11(17)5-10(16)12(18)8-3-1-7(2-4-8)9-6-20-13(19)15-9/h1-4,6,10,12,16,18H,5H2,(H2,14,17)(H,15,19)
InChIKeyCFEKNFWOTGKCHB-UHFFFAOYSA-N
XLogP0.37
TPSA116.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3,4-dihydroxy-4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of 3,4-dihydroxy-4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide (CID 171900007) is 3,4-dihydroxy-4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 3,4-dihydroxy-4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for 3,4-dihydroxy-4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide is NC(=O)CC(O)C(O)c1ccc(-c2csc(=O)[nH]2)cc1.
What is the InChIKey of 3,4-dihydroxy-4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is CFEKNFWOTGKCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c14-11(17)5-10(16)12(18)8-3-1-7(2-4-8)9-6-20-13(19)15-9/h1-4,6,10,12,16,18H,5H2,(H2,14,17)(H,15,19).
What are the key properties of 3,4-dihydroxy-4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide?
3,4-dihydroxy-4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 294.33 g/mol, XLogP of 0.37, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 171900007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).