2-(4-bromothiophen-2-yl)-N-(2-butylpyrazol-3-yl)-1,3-thiazole-4-carboxamide

C15H15BrN4OS2 — CID 52723976

IUPAC2-(4-bromothiophen-2-yl)-N-(2-butylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCCCCn1nccc1NC(=O)c1csc(-c2cc(Br)cs2)n1
InChIInChI=1S/C15H15BrN4OS2/c1-2-3-6-20-13(4-5-17-20)19-14(21)11-9-23-15(18-11)12-7-10(16)8-22-12/h4-5,7-9H,2-3,6H2,1H3,(H,19,21)
InChIKeyDKXDKTRCOHDKCQ-UHFFFAOYSA-N
MW411.35 g/mol
LogP4.88
Rot. Bonds6

About 2-(4-bromothiophen-2-yl)-N-(2-butylpyrazol-3-yl)-1,3-thiazole-4-carboxamide

2-(4-bromothiophen-2-yl)-N-(2-butylpyrazol-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 52723976) has the molecular formula C15H15BrN4OS2 and a molecular weight of 411.35 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-(2-butylpyrazol-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-(2-butylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID52723976
Molecular FormulaC15H15BrN4OS2
Molecular Weight411.35 g/mol
Exact Mass409.99
IUPAC Name2-(4-bromothiophen-2-yl)-N-(2-butylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCCCCn1nccc1NC(=O)c1csc(-c2cc(Br)cs2)n1
InChIInChI=1S/C15H15BrN4OS2/c1-2-3-6-20-13(4-5-17-20)19-14(21)11-9-23-15(18-11)12-7-10(16)8-22-12/h4-5,7-9H,2-3,6H2,1H3,(H,19,21)
InChIKeyDKXDKTRCOHDKCQ-UHFFFAOYSA-N
XLogP4.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.35
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-bromothiophen-2-yl)-N-(2-butylpyrazol-3-yl)-1,3-thiazole-4-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

ethyl N-[[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 47336082
N-(2-butylpyrazol-3-yl)-2-chloroacetamide
CID 50987917
2-(4-bromothiophen-2-yl)-N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 60549928
N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 51122885
2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 52714960
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 78817041
N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide
CID 78864779
1-butyl-3-(2-butylpyrazol-3-yl)urea
CID 47420496
5-[[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119235171
2-(4-bromothiophen-2-yl)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 55949014
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55811504
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 34074376

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-(2-butylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-(2-butylpyrazol-3-yl)-1,3-thiazole-4-carboxamide (CID 52723976) is 2-(4-bromothiophen-2-yl)-N-(2-butylpyrazol-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-(2-butylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-(2-butylpyrazol-3-yl)-1,3-thiazole-4-carboxamide is CCCCn1nccc1NC(=O)c1csc(-c2cc(Br)cs2)n1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-(2-butylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is DKXDKTRCOHDKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4OS2/c1-2-3-6-20-13(4-5-17-20)19-14(21)11-9-23-15(18-11)12-7-10(16)8-22-12/h4-5,7-9H,2-3,6H2,1H3,(H,19,21).
What are the key properties of 2-(4-bromothiophen-2-yl)-N-(2-butylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
2-(4-bromothiophen-2-yl)-N-(2-butylpyrazol-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 411.35 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-N-(2-butylpyrazol-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 52723976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).