2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine

C13H15BrN2S — CID 115347390

IUPAC2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C13H15BrN2S/c1-16(2)7-6-13-15-12(9-17-13)10-4-3-5-11(14)8-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyQLQZSTGDJRFJHB-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.68
Rot. Bonds4

About 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine

2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine (PubChem CID 115347390) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine
PubChem CID115347390
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C13H15BrN2S/c1-16(2)7-6-13-15-12(9-17-13)10-4-3-5-11(14)8-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyQLQZSTGDJRFJHB-UHFFFAOYSA-N
XLogP3.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964967
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 9173965
N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558381
4-(3-bromophenyl)-2-[(3,5-dimethylphenyl)methyl]-1,3-thiazole
CID 79832251
4-(3-bromophenyl)-2-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 79832250
4-(3-bromophenyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole
CID 79831454
4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole
CID 79832018
N,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine
CID 114802987
3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline
CID 61308455
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole
CID 78913074
4-(3-bromophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 78908720

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine (CID 115347390) is 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine is CN(C)CCc1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
The InChIKey is QLQZSTGDJRFJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-16(2)7-6-13-15-12(9-17-13)10-4-3-5-11(14)8-10/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine has a molecular weight of 311.25 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 115347390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).