3-(1H-indazole-3-carbonylamino)-4-methylthiophene-2-carboxylic acid

C14H11N3O3S — CID 114914987

IUPAC3-(1H-indazole-3-carbonylamino)-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H11N3O3S/c1-7-6-21-12(14(19)20)10(7)15-13(18)11-8-4-2-3-5-9(8)16-17-11/h2-6H,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyGLEUXTFOSNAJDZ-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.88
Rot. Bonds3

About 3-(1H-indazole-3-carbonylamino)-4-methylthiophene-2-carboxylic acid

3-(1H-indazole-3-carbonylamino)-4-methylthiophene-2-carboxylic acid (PubChem CID 114914987) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 3-(1H-indazole-3-carbonylamino)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(1H-indazole-3-carbonylamino)-4-methylthiophene-2-carboxylic acid
PubChem CID114914987
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name3-(1H-indazole-3-carbonylamino)-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H11N3O3S/c1-7-6-21-12(14(19)20)10(7)15-13(18)11-8-4-2-3-5-9(8)16-17-11/h2-6H,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyGLEUXTFOSNAJDZ-UHFFFAOYSA-N
XLogP2.88
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
CID 9069923
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide
CID 40672202
N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 154796255
N-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
CID 166229758
N-(2-bromophenyl)-1H-indazole-3-carboxamide
CID 60636355
6-(1H-indazole-3-carbonylamino)pyridine-2-carboxylic acid
CID 63643067
5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid
CID 110481950
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
CID 60606536
N-methoxy-1H-indazole-3-carboxamide
CID 60722689
4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 114914762

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazole-3-carbonylamino)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-(1H-indazole-3-carbonylamino)-4-methylthiophene-2-carboxylic acid (CID 114914987) is 3-(1H-indazole-3-carbonylamino)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-(1H-indazole-3-carbonylamino)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-(1H-indazole-3-carbonylamino)-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indazole-3-carbonylamino)-4-methylthiophene-2-carboxylic acid?
The InChIKey is GLEUXTFOSNAJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-7-6-21-12(14(19)20)10(7)15-13(18)11-8-4-2-3-5-9(8)16-17-11/h2-6H,1H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 3-(1H-indazole-3-carbonylamino)-4-methylthiophene-2-carboxylic acid?
3-(1H-indazole-3-carbonylamino)-4-methylthiophene-2-carboxylic acid has a molecular weight of 301.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazole-3-carbonylamino)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 114914987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).