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

C14H12BrN3OS — CID 86836262

IUPAC5-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1ncc(CNC(=O)c2cc3cc(Br)ccc3[nH]2)s1
InChIInChI=1S/C14H12BrN3OS/c1-8-16-6-11(20-8)7-17-14(19)13-5-9-4-10(15)2-3-12(9)18-13/h2-6,18H,7H2,1H3,(H,17,19)
InChIKeyFSTIOLSVBRDWMP-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.63
Rot. Bonds3

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

5-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 86836262) has the molecular formula C14H12BrN3OS and a molecular weight of 350.24 g/mol. Its IUPAC name is 5-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide
PubChem CID86836262
Molecular FormulaC14H12BrN3OS
Molecular Weight350.24 g/mol
Exact Mass348.99
IUPAC Name5-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1ncc(CNC(=O)c2cc3cc(Br)ccc3[nH]2)s1
InChIInChI=1S/C14H12BrN3OS/c1-8-16-6-11(20-8)7-17-14(19)13-5-9-4-10(15)2-3-12(9)18-13/h2-6,18H,7H2,1H3,(H,17,19)
InChIKeyFSTIOLSVBRDWMP-UHFFFAOYSA-N
XLogP3.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide (CID 86836262) is 5-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide is Cc1ncc(CNC(=O)c2cc3cc(Br)ccc3[nH]2)s1.
What is the InChIKey of 5-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is FSTIOLSVBRDWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3OS/c1-8-16-6-11(20-8)7-17-14(19)13-5-9-4-10(15)2-3-12(9)18-13/h2-6,18H,7H2,1H3,(H,17,19).
What are the key properties of 5-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide?
5-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 350.24 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 86836262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).