5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide

C19H14BrN3OS — CID 24686334

IUPAC5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3c[nH]c4ccc(Br)cc34)cc2)cs1
InChIInChI=1S/C19H14BrN3OS/c1-11-22-18(10-25-11)12-2-5-14(6-3-12)23-19(24)16-9-21-17-7-4-13(20)8-15(16)17/h2-10,21H,1H3,(H,23,24)
InChIKeyLPZDDOHBVFRNHU-UHFFFAOYSA-N
MW412.31 g/mol
LogP5.61
Rot. Bonds3

About 5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide

5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide (PubChem CID 24686334) has the molecular formula C19H14BrN3OS and a molecular weight of 412.31 g/mol. Its IUPAC name is 5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide
PubChem CID24686334
Molecular FormulaC19H14BrN3OS
Molecular Weight412.31 g/mol
Exact Mass411.00
IUPAC Name5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3c[nH]c4ccc(Br)cc34)cc2)cs1
InChIInChI=1S/C19H14BrN3OS/c1-11-22-18(10-25-11)12-2-5-14(6-3-12)23-19(24)16-9-21-17-7-4-13(20)8-15(16)17/h2-10,21H,1H3,(H,23,24)
InChIKeyLPZDDOHBVFRNHU-UHFFFAOYSA-N
XLogP5.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.31
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 8534184
2-(1H-indol-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8533766
2,4,5-trifluoro-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286618
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate
CID 108727336
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167049
2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 8534104
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazine-2-carboxamide
CID 18090488
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310
5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619296

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide (CID 24686334) is 5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide is Cc1nc(-c2ccc(NC(=O)c3c[nH]c4ccc(Br)cc34)cc2)cs1.
What is the InChIKey of 5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide?
The InChIKey is LPZDDOHBVFRNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3OS/c1-11-22-18(10-25-11)12-2-5-14(6-3-12)23-19(24)16-9-21-17-7-4-13(20)8-15(16)17/h2-10,21H,1H3,(H,23,24).
What are the key properties of 5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide?
5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide has a molecular weight of 412.31 g/mol, XLogP of 5.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 24686334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).