2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid

C12H8N4O3S — CID 65348770

IUPAC2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(NC(=O)c3ccn[nH]3)sc2c1
InChIInChI=1S/C12H8N4O3S/c17-10(8-3-4-13-16-8)15-12-14-7-2-1-6(11(18)19)5-9(7)20-12/h1-5H,(H,13,16)(H,18,19)(H,14,15,17)
InChIKeyQXKXBOVIVKLJIC-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.97
Rot. Bonds3

About 2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid

2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid (PubChem CID 65348770) has the molecular formula C12H8N4O3S and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid
PubChem CID65348770
Molecular FormulaC12H8N4O3S
Molecular Weight288.29 g/mol
Exact Mass288.03
IUPAC Name2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(NC(=O)c3ccn[nH]3)sc2c1
InChIInChI=1S/C12H8N4O3S/c17-10(8-3-4-13-16-8)15-12-14-7-2-1-6(11(18)19)5-9(7)20-12/h1-5H,(H,13,16)(H,18,19)(H,14,15,17)
InChIKeyQXKXBOVIVKLJIC-UHFFFAOYSA-N
XLogP1.97
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1H-pyrazole-5-carboxamide
CID 130354570
2-(carbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348728
2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid
CID 107470253
2-(2,3-dimethylbutanoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348581
2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348957
2-[(3,4-dibromocyclopenta-1,3-diene-1-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 159516008
2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 79154501
2-[(4-methylthiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127667
2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 79812305
2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 89063864
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid
CID 2756763

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid (CID 65348770) is 2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid is O=C(O)c1ccc2nc(NC(=O)c3ccn[nH]3)sc2c1.
What is the InChIKey of 2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is QXKXBOVIVKLJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O3S/c17-10(8-3-4-13-16-8)15-12-14-7-2-1-6(11(18)19)5-9(7)20-12/h1-5H,(H,13,16)(H,18,19)(H,14,15,17).
What are the key properties of 2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid?
2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 288.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazole-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 65348770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).