3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine

C14H17BrN2S — CID 116884811

IUPAC3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine
SMILESCc1nc(-c2ccccc2Br)sc1C(C)CCN
InChIInChI=1S/C14H17BrN2S/c1-9(7-8-16)13-10(2)17-14(18-13)11-5-3-4-6-12(11)15/h3-6,9H,7-8,16H2,1-2H3
InChIKeyWUIIYXAMTGNJOQ-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.33
Rot. Bonds4

About 3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine

3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine (PubChem CID 116884811) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is 3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine
PubChem CID116884811
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine
SMILESCc1nc(-c2ccccc2Br)sc1C(C)CCN
InChIInChI=1S/C14H17BrN2S/c1-9(7-8-16)13-10(2)17-14(18-13)11-5-3-4-6-12(11)15/h3-6,9H,7-8,16H2,1-2H3
InChIKeyWUIIYXAMTGNJOQ-UHFFFAOYSA-N
XLogP4.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine
CID 116884799
2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine
CID 116887215
3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine
CID 116884791
3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine
CID 116884789
5-bromo-2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 116887939
3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965075
2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116887743
2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanethiol
CID 116885779
4-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-2-amine
CID 116884948
1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 54593693
4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole
CID 84609516
5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 82542709

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine?
The IUPAC name of 3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine (CID 116884811) is 3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine.
What is the SMILES notation for 3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine?
The canonical SMILES for 3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine is Cc1nc(-c2ccccc2Br)sc1C(C)CCN.
What is the InChIKey of 3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine?
The InChIKey is WUIIYXAMTGNJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-9(7-8-16)13-10(2)17-14(18-13)11-5-3-4-6-12(11)15/h3-6,9H,7-8,16H2,1-2H3.
What are the key properties of 3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine?
3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine has a molecular weight of 325.28 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine is sourced from PubChem (CID 116884811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).