4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid

C15H14N2O4S — CID 120515303

IUPAC4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cnc(C3CCCO3)s2)cc1
InChIInChI=1S/C15H14N2O4S/c18-13(17-10-5-3-9(4-6-10)15(19)20)12-8-16-14(22-12)11-2-1-7-21-11/h3-6,8,11H,1-2,7H2,(H,17,18)(H,19,20)
InChIKeyXJULZBNCCHLHBU-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.95
Rot. Bonds4

About 4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid

4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid (PubChem CID 120515303) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid
PubChem CID120515303
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cnc(C3CCCO3)s2)cc1
InChIInChI=1S/C15H14N2O4S/c18-13(17-10-5-3-9(4-6-10)15(19)20)12-8-16-14(22-12)11-2-1-7-21-11/h3-6,8,11H,1-2,7H2,(H,17,18)(H,19,20)
InChIKeyXJULZBNCCHLHBU-UHFFFAOYSA-N
XLogP2.95
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
CID 120530693
2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120697118
2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
CID 120522164
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
CID 120513587
5-[[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110381
4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524586
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid
CID 120519095
N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide
CID 124514121
2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526645
5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
CID 122056923
4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid
CID 120533772
N-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide
CID 126775241

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid (CID 120515303) is 4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2cnc(C3CCCO3)s2)cc1.
What is the InChIKey of 4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid?
The InChIKey is XJULZBNCCHLHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c18-13(17-10-5-3-9(4-6-10)15(19)20)12-8-16-14(22-12)11-2-1-7-21-11/h3-6,8,11H,1-2,7H2,(H,17,18)(H,19,20).
What are the key properties of 4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid?
4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid has a molecular weight of 318.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid is sourced from PubChem (CID 120515303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).