1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine

C13H15BrN2S — CID 116964967

IUPAC1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C13H15BrN2S/c1-13(2,15)7-12-16-11(8-17-12)9-4-3-5-10(14)6-9/h3-6,8H,7,15H2,1-2H3
InChIKeyILLBHSRHFWPTOB-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.85
Rot. Bonds3

About 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine

1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine (PubChem CID 116964967) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
PubChem CID116964967
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C13H15BrN2S/c1-13(2,15)7-12-16-11(8-17-12)9-4-3-5-10(14)6-9/h3-6,8H,7,15H2,1-2H3
InChIKeyILLBHSRHFWPTOB-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)-2-[(3,5-dimethylphenyl)methyl]-1,3-thiazole
CID 79832251
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 9173965
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 115347390
N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558381
1-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-methylpropan-2-amine
CID 116888250
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
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
CID 116865446
4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole
CID 79832018
1-(3-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 79828189
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820016

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine (CID 116964967) is 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine is CC(C)(N)Cc1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine?
The InChIKey is ILLBHSRHFWPTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-13(2,15)7-12-16-11(8-17-12)9-4-3-5-10(14)6-9/h3-6,8H,7,15H2,1-2H3.
What are the key properties of 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine?
1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine has a molecular weight of 311.25 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 116964967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).