2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid

C11H10N2O3S — CID 2859080

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NC1=NCCS1
InChIInChI=1S/C11H10N2O3S/c14-9(13-11-12-5-6-17-11)7-3-1-2-4-8(7)10(15)16/h1-4H,5-6H2,(H,15,16)(H,12,13,14)
InChIKeyCGPSZIWTWQTWGN-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.22
Rot. Bonds2

About 2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid

2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid (PubChem CID 2859080) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid
PubChem CID2859080
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NC1=NCCS1
InChIInChI=1S/C11H10N2O3S/c14-9(13-11-12-5-6-17-11)7-3-1-2-4-8(7)10(15)16/h1-4H,5-6H2,(H,15,16)(H,12,13,14)
InChIKeyCGPSZIWTWQTWGN-UHFFFAOYSA-N
XLogP1.22
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 163590328
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
CID 4801992
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 17417464
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 2117314
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)benzamide
CID 102046322
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 51073257
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 4127819
(2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide
CID 99864673
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 26584758
N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 3246749
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethoxybenzamide
CID 78791862
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4513583

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid (CID 2859080) is 2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid is O=C(O)c1ccccc1C(=O)NC1=NCCS1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid?
The InChIKey is CGPSZIWTWQTWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c14-9(13-11-12-5-6-17-11)7-3-1-2-4-8(7)10(15)16/h1-4H,5-6H2,(H,15,16)(H,12,13,14).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid?
2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid has a molecular weight of 250.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid is sourced from PubChem (CID 2859080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).