4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide

C12H12BrClN4OS — CID 116671221

IUPAC4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)Nc2ccc(Cl)c(Br)c2)s1
InChIInChI=1S/C12H12BrClN4OS/c1-18(2)12-17-10(15)9(20-12)11(19)16-6-3-4-8(14)7(13)5-6/h3-5H,15H2,1-2H3,(H,16,19)
InChIKeyZLMYZAUIQNMZHN-UHFFFAOYSA-N
MW375.68 g/mol
LogP3.46
Rot. Bonds3

About 4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116671221) has the molecular formula C12H12BrClN4OS and a molecular weight of 375.68 g/mol. Its IUPAC name is 4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
PubChem CID116671221
Molecular FormulaC12H12BrClN4OS
Molecular Weight375.68 g/mol
Exact Mass373.96
IUPAC Name4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)Nc2ccc(Cl)c(Br)c2)s1
InChIInChI=1S/C12H12BrClN4OS/c1-18(2)12-17-10(15)9(20-12)11(19)16-6-3-4-8(14)7(13)5-6/h3-5H,15H2,1-2H3,(H,16,19)
InChIKeyZLMYZAUIQNMZHN-UHFFFAOYSA-N
XLogP3.46
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.68
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-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

4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116668442
4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116665584
4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 107806799
4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116663693
4-amino-2-(dimethylamino)-N-(4-ethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 116667999
4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116669218
4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide
CID 116671148
4-amino-2-[ethyl(methyl)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668817
4-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666832
2-(dimethylamino)-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 75437740
4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116673325
4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide
CID 116669238

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide (CID 116671221) is 4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide is CN(C)c1nc(N)c(C(=O)Nc2ccc(Cl)c(Br)c2)s1.
What is the InChIKey of 4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is ZLMYZAUIQNMZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4OS/c1-18(2)12-17-10(15)9(20-12)11(19)16-6-3-4-8(14)7(13)5-6/h3-5H,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 375.68 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).