2-[[2-(furan-2-carbonylimino)-5-methyl-1,3-thiazol-3-yl]methyl]benzoic acid

C17H14N2O4S — CID 42795860

IUPAC2-[[2-(furan-2-carbonylimino)-5-methyl-1,3-thiazol-3-yl]methyl]benzoic acid
SMILESCc1cn(Cc2ccccc2C(=O)O)/c(=N/C(=O)c2ccco2)s1
InChIInChI=1S/C17H14N2O4S/c1-11-9-19(10-12-5-2-3-6-13(12)16(21)22)17(24-11)18-15(20)14-7-4-8-23-14/h2-9H,10H2,1H3,(H,21,22)/b18-17-
InChIKeyDAMWRVZQLZZNRL-ZCXUNETKSA-N
MW342.38 g/mol
LogP2.94
Rot. Bonds4

About 2-[[2-(furan-2-carbonylimino)-5-methyl-1,3-thiazol-3-yl]methyl]benzoic acid

2-[[2-(furan-2-carbonylimino)-5-methyl-1,3-thiazol-3-yl]methyl]benzoic acid (PubChem CID 42795860) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-[[2-(furan-2-carbonylimino)-5-methyl-1,3-thiazol-3-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-(furan-2-carbonylimino)-5-methyl-1,3-thiazol-3-yl]methyl]benzoic acid
PubChem CID42795860
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name2-[[2-(furan-2-carbonylimino)-5-methyl-1,3-thiazol-3-yl]methyl]benzoic acid
SMILESCc1cn(Cc2ccccc2C(=O)O)/c(=N/C(=O)c2ccco2)s1
InChIInChI=1S/C17H14N2O4S/c1-11-9-19(10-12-5-2-3-6-13(12)16(21)22)17(24-11)18-15(20)14-7-4-8-23-14/h2-9H,10H2,1H3,(H,21,22)/b18-17-
InChIKeyDAMWRVZQLZZNRL-ZCXUNETKSA-N
XLogP2.94
TPSA84.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(furan-2-carbonylimino)-5-methyl-1,3-thiazol-3-yl]methyl]benzoic acid 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 2-[[2-(furan-2-carbonylimino)-5-methyl-1,3-thiazol-3-yl]methyl]benzoic acid?
The IUPAC name of 2-[[2-(furan-2-carbonylimino)-5-methyl-1,3-thiazol-3-yl]methyl]benzoic acid (CID 42795860) is 2-[[2-(furan-2-carbonylimino)-5-methyl-1,3-thiazol-3-yl]methyl]benzoic acid.
What is the SMILES notation for 2-[[2-(furan-2-carbonylimino)-5-methyl-1,3-thiazol-3-yl]methyl]benzoic acid?
The canonical SMILES for 2-[[2-(furan-2-carbonylimino)-5-methyl-1,3-thiazol-3-yl]methyl]benzoic acid is Cc1cn(Cc2ccccc2C(=O)O)/c(=N/C(=O)c2ccco2)s1.
What is the InChIKey of 2-[[2-(furan-2-carbonylimino)-5-methyl-1,3-thiazol-3-yl]methyl]benzoic acid?
The InChIKey is DAMWRVZQLZZNRL-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-11-9-19(10-12-5-2-3-6-13(12)16(21)22)17(24-11)18-15(20)14-7-4-8-23-14/h2-9H,10H2,1H3,(H,21,22)/b18-17-.
What are the key properties of 2-[[2-(furan-2-carbonylimino)-5-methyl-1,3-thiazol-3-yl]methyl]benzoic acid?
2-[[2-(furan-2-carbonylimino)-5-methyl-1,3-thiazol-3-yl]methyl]benzoic acid has a molecular weight of 342.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-carbonylimino)-5-methyl-1,3-thiazol-3-yl]methyl]benzoic acid is sourced from PubChem (CID 42795860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).