2-(2-bromophenyl)-1,3-thiazole-4-carboxamide

C10H7BrN2OS — CID 116892022

IUPAC2-(2-bromophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2ccccc2Br)n1
InChIInChI=1S/C10H7BrN2OS/c11-7-4-2-1-3-6(7)10-13-8(5-15-10)9(12)14/h1-5H,(H2,12,14)
InChIKeyIHIOOUQCAICKSM-UHFFFAOYSA-N
MW283.15 g/mol
LogP2.67
Rot. Bonds2

About 2-(2-bromophenyl)-1,3-thiazole-4-carboxamide

2-(2-bromophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 116892022) has the molecular formula C10H7BrN2OS and a molecular weight of 283.15 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-1,3-thiazole-4-carboxamide
PubChem CID116892022
Molecular FormulaC10H7BrN2OS
Molecular Weight283.15 g/mol
Exact Mass281.95
IUPAC Name2-(2-bromophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2ccccc2Br)n1
InChIInChI=1S/C10H7BrN2OS/c11-7-4-2-1-3-6(7)10-13-8(5-15-10)9(12)14/h1-5H,(H2,12,14)
InChIKeyIHIOOUQCAICKSM-UHFFFAOYSA-N
XLogP2.67
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116887743
2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 54593856
2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 116891977
2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 116891997
2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 116891955
2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetaldehyde
CID 115089496
3-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116889292
2-[6-(2-amino-1,3-thiazol-4-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 146351533
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
CID 79832539
2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 116891994
2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane
CID 158555403

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-bromophenyl)-1,3-thiazole-4-carboxamide (CID 116892022) is 2-(2-bromophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-bromophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-bromophenyl)-1,3-thiazole-4-carboxamide is NC(=O)c1csc(-c2ccccc2Br)n1.
What is the InChIKey of 2-(2-bromophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IHIOOUQCAICKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2OS/c11-7-4-2-1-3-6(7)10-13-8(5-15-10)9(12)14/h1-5H,(H2,12,14).
What are the key properties of 2-(2-bromophenyl)-1,3-thiazole-4-carboxamide?
2-(2-bromophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 283.15 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 116892022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).