N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-6-carboxamide

C12H8BrN3OS — CID 63749143

IUPACN-(5-bromo-1,3-thiazol-2-yl)-1H-indole-6-carboxamide
SMILESO=C(Nc1ncc(Br)s1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H8BrN3OS/c13-10-6-15-12(18-10)16-11(17)8-2-1-7-3-4-14-9(7)5-8/h1-6,14H,(H,15,16,17)
InChIKeyRVKYTNGPHIYPMH-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.64
Rot. Bonds2

About N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-6-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-6-carboxamide (PubChem CID 63749143) 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-6-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-1H-indole-6-carboxamide
PubChem CID63749143
Molecular FormulaC12H8BrN3OS
Molecular Weight322.19 g/mol
Exact Mass320.96
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-1H-indole-6-carboxamide
SMILESO=C(Nc1ncc(Br)s1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H8BrN3OS/c13-10-6-15-12(18-10)16-11(17)8-2-1-7-3-4-14-9(7)5-8/h1-6,14H,(H,15,16,17)
InChIKeyRVKYTNGPHIYPMH-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

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Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)-3-hydroxybenzamide
CID 60654759
3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide
CID 60789785
6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66462491
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1H-indole-5-carboxamide
CID 63747748
N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 60784651
N-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 60784493
N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 60654890
N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62181432
N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide
CID 116795223
N-(2-bromo-4-chlorophenyl)-1H-indole-6-carboxamide
CID 81024878
6-(1H-indole-6-carbonylamino)pyridine-2-carboxylic acid
CID 63749854
N-(1,2-oxazol-3-yl)-1H-indole-6-carboxamide
CID 63768269

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-6-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-6-carboxamide (CID 63749143) is N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-6-carboxamide is O=C(Nc1ncc(Br)s1)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-6-carboxamide?
The InChIKey is RVKYTNGPHIYPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3OS/c13-10-6-15-12(18-10)16-11(17)8-2-1-7-3-4-14-9(7)5-8/h1-6,14H,(H,15,16,17).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-6-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-6-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-6-carboxamide is sourced from PubChem (CID 63749143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).