N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide

C12H8BrN3OS — CID 60784651

IUPACN-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ncc(Br)s1)c1cc2ccccc2[nH]1
InChIInChI=1S/C12H8BrN3OS/c13-10-6-14-12(18-10)16-11(17)9-5-7-3-1-2-4-8(7)15-9/h1-6,15H,(H,14,16,17)
InChIKeyQERPJLYPSUOROV-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.64
Rot. Bonds2

About N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide (PubChem CID 60784651) has the molecular formula C12H8BrN3OS and a molecular weight of 322.19 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
PubChem CID60784651
Molecular FormulaC12H8BrN3OS
Molecular Weight322.19 g/mol
Exact Mass320.96
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ncc(Br)s1)c1cc2ccccc2[nH]1
InChIInChI=1S/C12H8BrN3OS/c13-10-6-14-12(18-10)16-11(17)9-5-7-3-1-2-4-8(7)15-9/h1-6,15H,(H,14,16,17)
InChIKeyQERPJLYPSUOROV-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 N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-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

N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 46916963
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
CID 60804613
N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide
CID 43397690
N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide
CID 103789422
N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 60785288
N-(4-bromo-2-pyridinyl)-1H-indole-2-carboxamide
CID 102674192
N-pyrazin-2-yl-1H-indole-2-carboxamide
CID 43422742
N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 60717086
potassium N-oxido-1H-indole-2-carboxamide
CID 23661896
N-(5-bromo-1,3-thiazol-2-yl)-5-nitro-1H-pyrrole-2-carboxamide
CID 60785600
N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide
CID 110474026
N-(5-bromo-6-methyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 79049257

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide (CID 60784651) is N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide is O=C(Nc1ncc(Br)s1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide?
The InChIKey is QERPJLYPSUOROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3OS/c13-10-6-14-12(18-10)16-11(17)9-5-7-3-1-2-4-8(7)15-9/h1-6,15H,(H,14,16,17).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-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 N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 60784651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).