4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide

C13H15BrN4OS — CID 116663116

IUPAC4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)NCc2cccc(Br)c2)s1
InChIInChI=1S/C13H15BrN4OS/c1-18(2)13-17-11(15)10(20-13)12(19)16-7-8-4-3-5-9(14)6-8/h3-6H,7,15H2,1-2H3,(H,16,19)
InChIKeyJYHFIEHBAVWXEB-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.48
Rot. Bonds4

About 4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116663116) has the molecular formula C13H15BrN4OS and a molecular weight of 355.26 g/mol. Its IUPAC name is 4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
PubChem CID116663116
Molecular FormulaC13H15BrN4OS
Molecular Weight355.26 g/mol
Exact Mass354.01
IUPAC Name4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)NCc2cccc(Br)c2)s1
InChIInChI=1S/C13H15BrN4OS/c1-18(2)13-17-11(15)10(20-13)12(19)16-7-8-4-3-5-9(14)6-8/h3-6H,7,15H2,1-2H3,(H,16,19)
InChIKeyJYHFIEHBAVWXEB-UHFFFAOYSA-N
XLogP2.48
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[(3-bromophenyl)methyl]-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-2-(dimethylamino)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116670788
4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116668777
4-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666832
4-amino-2-[ethyl(methyl)amino]-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116670630
4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116665288
4-amino-2-(dimethylamino)-N-[(3-methyl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 114702402
4-amino-N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663147
4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116663126
4-amino-2-(dimethylamino)-N-(2-ethoxyethyl)-1,3-thiazole-5-carboxamide
CID 116670447
4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116668442
N-[(3-bromophenyl)methyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 55577849
4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666526

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide (CID 116663116) is 4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide is CN(C)c1nc(N)c(C(=O)NCc2cccc(Br)c2)s1.
What is the InChIKey of 4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is JYHFIEHBAVWXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4OS/c1-18(2)13-17-11(15)10(20-13)12(19)16-7-8-4-3-5-9(14)6-8/h3-6H,7,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 355.26 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).