5-benzamido-1,3-thiazole-4-carboxylic acid

C11H8N2O3S — CID 69246207

IUPAC5-benzamido-1,3-thiazole-4-carboxylic acid
SMILESO=C(Nc1scnc1C(=O)O)c1ccccc1
InChIInChI=1S/C11H8N2O3S/c14-9(7-4-2-1-3-5-7)13-10-8(11(15)16)12-6-17-10/h1-6H,(H,13,14)(H,15,16)
InChIKeyHZKPSAXNSKBEBE-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.09
Rot. Bonds3

About 5-benzamido-1,3-thiazole-4-carboxylic acid

5-benzamido-1,3-thiazole-4-carboxylic acid (PubChem CID 69246207) has the molecular formula C11H8N2O3S and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-benzamido-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-benzamido-1,3-thiazole-4-carboxylic acid
PubChem CID69246207
Molecular FormulaC11H8N2O3S
Molecular Weight248.26 g/mol
Exact Mass248.03
IUPAC Name5-benzamido-1,3-thiazole-4-carboxylic acid
SMILESO=C(Nc1scnc1C(=O)O)c1ccccc1
InChIInChI=1S/C11H8N2O3S/c14-9(7-4-2-1-3-5-7)13-10-8(11(15)16)12-6-17-10/h1-6H,(H,13,14)(H,15,16)
InChIKeyHZKPSAXNSKBEBE-UHFFFAOYSA-N
XLogP2.09
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-benzamido-1,3-thiazole-4-carboxylate
CID 102425607
N-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide
CID 23548812
N-(1,3-benzothiazol-4-yl)benzamide
CID 24975205
2-benzamidothiophene-3-carboxylic acid
CID 16639461
5-[2-(difluoromethylsulfanyl)anilino]-1,3-thiazole-4-carboxylic acid
CID 64631698
5-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylic acid
CID 64629673
N-pyrimidin-2-ylbenzamide
CID 638481
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
4-benzamido-1,2,5-oxadiazole-3-carboxylic acid
CID 84614613
N-phenyl-5-[(2,4,6-trichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 11690446
N-pyrimidin-2-ylbenzamide;silver
CID 175574792
5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64630275

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-benzamido-1,3-thiazole-4-carboxylic acid (CID 69246207) is 5-benzamido-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-benzamido-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-benzamido-1,3-thiazole-4-carboxylic acid is O=C(Nc1scnc1C(=O)O)c1ccccc1.
What is the InChIKey of 5-benzamido-1,3-thiazole-4-carboxylic acid?
The InChIKey is HZKPSAXNSKBEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3S/c14-9(7-4-2-1-3-5-7)13-10-8(11(15)16)12-6-17-10/h1-6H,(H,13,14)(H,15,16).
What are the key properties of 5-benzamido-1,3-thiazole-4-carboxylic acid?
5-benzamido-1,3-thiazole-4-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 69246207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).