2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid

C14H10N2O3S2 — CID 79812305

IUPAC2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
SMILESCc1cscc1C(=O)Nc1nc2ccc(C(=O)O)cc2s1
InChIInChI=1S/C14H10N2O3S2/c1-7-5-20-6-9(7)12(17)16-14-15-10-3-2-8(13(18)19)4-11(10)21-14/h2-6H,1H3,(H,18,19)(H,15,16,17)
InChIKeyABYRRNFDXXYAID-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.62
Rot. Bonds3

About 2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid

2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid (PubChem CID 79812305) has the molecular formula C14H10N2O3S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
PubChem CID79812305
Molecular FormulaC14H10N2O3S2
Molecular Weight318.38 g/mol
Exact Mass318.01
IUPAC Name2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
SMILESCc1cscc1C(=O)Nc1nc2ccc(C(=O)O)cc2s1
InChIInChI=1S/C14H10N2O3S2/c1-7-5-20-6-9(7)12(17)16-14-15-10-3-2-8(13(18)19)4-11(10)21-14/h2-6H,1H3,(H,18,19)(H,15,16,17)
InChIKeyABYRRNFDXXYAID-UHFFFAOYSA-N
XLogP3.62
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic 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-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
2-[(4-methylthiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127667
2-(carbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348728
2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 79154501
2-(2,3-dimethylbutanoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348581
2-[[2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127462
2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348957
2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127706
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid
CID 2756763
2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348770
2-[(6-methoxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127689
2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 89063864

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid (CID 79812305) is 2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid is Cc1cscc1C(=O)Nc1nc2ccc(C(=O)O)cc2s1.
What is the InChIKey of 2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is ABYRRNFDXXYAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S2/c1-7-5-20-6-9(7)12(17)16-14-15-10-3-2-8(13(18)19)4-11(10)21-14/h2-6H,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid?
2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 79812305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).