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

C13H15BrN2S — CID 62645718

IUPAC1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C13H15BrN2S/c1-2-11(15)7-13-16-12(8-17-13)9-3-5-10(14)6-4-9/h3-6,8,11H,2,7,15H2,1H3
InChIKeyYFXWVYCCHZRWNN-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.85
Rot. Bonds4

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

1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-2-amine (PubChem CID 62645718) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-2-amine
PubChem CID62645718
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C13H15BrN2S/c1-2-11(15)7-13-16-12(8-17-13)9-3-5-10(14)6-4-9/h3-6,8,11H,2,7,15H2,1H3
InChIKeyYFXWVYCCHZRWNN-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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

2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]butan-1-ol
CID 116969622
1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine
CID 62646957
1-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butan-2-amine
CID 62646770
N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129658
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 61338979
4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole
CID 82124733
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 62647488
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol
CID 116967248
1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62653588
4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole
CID 79839439
4-(4-bromophenyl)-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 79831568
4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine
CID 2756846

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-2-amine?
The IUPAC name of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-2-amine (CID 62645718) is 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-2-amine?
The canonical SMILES for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-2-amine is CCC(N)Cc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-2-amine?
The InChIKey is YFXWVYCCHZRWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-2-11(15)7-13-16-12(8-17-13)9-3-5-10(14)6-4-9/h3-6,8,11H,2,7,15H2,1H3.
What are the key properties of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-2-amine?
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-2-amine has a molecular weight of 311.25 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-2-amine is sourced from PubChem (CID 62645718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).