2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid

C10H7ClN2O4S — CID 106683297

IUPAC2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)c2ccoc2Cl)n1
InChIInChI=1S/C10H7ClN2O4S/c11-8-6(1-2-17-8)9(16)13-10-12-5(4-18-10)3-7(14)15/h1-2,4H,3H2,(H,14,15)(H,12,13,16)
InChIKeyRNVLDTKAEZSNHT-UHFFFAOYSA-N
MW286.70 g/mol
LogP2.27
Rot. Bonds4

About 2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 106683297) has the molecular formula C10H7ClN2O4S and a molecular weight of 286.70 g/mol. Its IUPAC name is 2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID106683297
Molecular FormulaC10H7ClN2O4S
Molecular Weight286.70 g/mol
Exact Mass285.98
IUPAC Name2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)c2ccoc2Cl)n1
InChIInChI=1S/C10H7ClN2O4S/c11-8-6(1-2-17-8)9(16)13-10-12-5(4-18-10)3-7(14)15/h1-2,4H,3H2,(H,14,15)(H,12,13,16)
InChIKeyRNVLDTKAEZSNHT-UHFFFAOYSA-N
XLogP2.27
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.70
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 106860455
2-[2-[(2-bromo-4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 107986384
2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80644266
2-[2-(furan-3-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16774692
2-[2-[(4-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 43089417
2-[2-(thiadiazole-4-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 62032288
2-[2-[(5-bromopyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62960563
2-[2-[(3-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 63194252
2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 81290528
N-[4-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 60510799
2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 28777667
N-[4-[2-(3-chloro-2,6-diethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 51117112

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 106683297) is 2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NC(=O)c2ccoc2Cl)n1.
What is the InChIKey of 2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is RNVLDTKAEZSNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O4S/c11-8-6(1-2-17-8)9(16)13-10-12-5(4-18-10)3-7(14)15/h1-2,4H,3H2,(H,14,15)(H,12,13,16).
What are the key properties of 2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 286.70 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 106683297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).