3-bromo-N-(1H-indazol-4-yl)thiophene-2-carboxamide

C12H8BrN3OS — CID 63800243

IUPAC3-bromo-N-(1H-indazol-4-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc2[nH]ncc12)c1sccc1Br
InChIInChI=1S/C12H8BrN3OS/c13-8-4-5-18-11(8)12(17)15-9-2-1-3-10-7(9)6-14-16-10/h1-6H,(H,14,16)(H,15,17)
InChIKeyTXDCLIOBDXEIHV-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.64
Rot. Bonds2

About 3-bromo-N-(1H-indazol-4-yl)thiophene-2-carboxamide

3-bromo-N-(1H-indazol-4-yl)thiophene-2-carboxamide (PubChem CID 63800243) has the molecular formula C12H8BrN3OS and a molecular weight of 322.19 g/mol. Its IUPAC name is 3-bromo-N-(1H-indazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1H-indazol-4-yl)thiophene-2-carboxamide
PubChem CID63800243
Molecular FormulaC12H8BrN3OS
Molecular Weight322.19 g/mol
Exact Mass320.96
IUPAC Name3-bromo-N-(1H-indazol-4-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc2[nH]ncc12)c1sccc1Br
InChIInChI=1S/C12H8BrN3OS/c13-8-4-5-18-11(8)12(17)15-9-2-1-3-10-7(9)6-14-16-10/h1-6H,(H,14,16)(H,15,17)
InChIKeyTXDCLIOBDXEIHV-UHFFFAOYSA-N
XLogP3.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-(1H-indazol-4-yl)thiophene-2-carboxamide 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-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide
CID 60933063
N-(1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 110474099
3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide
CID 130664762
4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide
CID 102851224
N-(1H-indazol-4-yl)propanamide
CID 61035756
2-(dimethylamino)-N-(1H-indazol-4-yl)acetamide
CID 110479732
3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide
CID 60778064
2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide
CID 61117079
2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid
CID 55240484
4-chloro-N-(1H-indazol-4-yl)butanamide
CID 63307555
(E)-N-(1H-indazol-4-yl)but-2-enamide
CID 110470186
3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide
CID 63172712

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1H-indazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(1H-indazol-4-yl)thiophene-2-carboxamide (CID 63800243) is 3-bromo-N-(1H-indazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1H-indazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1H-indazol-4-yl)thiophene-2-carboxamide is O=C(Nc1cccc2[nH]ncc12)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(1H-indazol-4-yl)thiophene-2-carboxamide?
The InChIKey is TXDCLIOBDXEIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3OS/c13-8-4-5-18-11(8)12(17)15-9-2-1-3-10-7(9)6-14-16-10/h1-6H,(H,14,16)(H,15,17).
What are the key properties of 3-bromo-N-(1H-indazol-4-yl)thiophene-2-carboxamide?
3-bromo-N-(1H-indazol-4-yl)thiophene-2-carboxamide has a molecular weight of 322.19 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1H-indazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 63800243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).