5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide

C13H10BrN3OS — CID 79964870

IUPAC5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3cn[nH]c3c2)sc1Br
InChIInChI=1S/C13H10BrN3OS/c1-7-4-11(19-12(7)14)13(18)16-9-3-2-8-6-15-17-10(8)5-9/h2-6H,1H3,(H,15,17)(H,16,18)
InChIKeyITYZDPDMFBEHMQ-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.95
Rot. Bonds2

About 5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide

5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide (PubChem CID 79964870) has the molecular formula C13H10BrN3OS and a molecular weight of 336.21 g/mol. Its IUPAC name is 5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide
PubChem CID79964870
Molecular FormulaC13H10BrN3OS
Molecular Weight336.21 g/mol
Exact Mass334.97
IUPAC Name5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3cn[nH]c3c2)sc1Br
InChIInChI=1S/C13H10BrN3OS/c1-7-4-11(19-12(7)14)13(18)16-9-3-2-8-6-15-17-10(8)5-9/h2-6H,1H3,(H,15,17)(H,16,18)
InChIKeyITYZDPDMFBEHMQ-UHFFFAOYSA-N
XLogP3.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
CID 79964276
4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide
CID 115769574
5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 65311641
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
2-amino-N-(1H-indazol-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55115347
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298
5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79934147
4-fluoro-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 115745336
N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79916167
N-(1H-indazol-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684914
N-(1H-indazol-6-yl)-6-methylpyridazine-3-carboxamide
CID 110705354
6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide
CID 66464887

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide (CID 79964870) is 5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccc3cn[nH]c3c2)sc1Br.
What is the InChIKey of 5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide?
The InChIKey is ITYZDPDMFBEHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3OS/c1-7-4-11(19-12(7)14)13(18)16-9-3-2-8-6-15-17-10(8)5-9/h2-6H,1H3,(H,15,17)(H,16,18).
What are the key properties of 5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide has a molecular weight of 336.21 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79964870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).