4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole

C14H16BrNS — CID 79838983

IUPAC4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole
SMILESCCC(C)c1nc(-c2cccc(Br)c2)c(C)s1
InChIInChI=1S/C14H16BrNS/c1-4-9(2)14-16-13(10(3)17-14)11-6-5-7-12(15)8-11/h5-9H,4H2,1-3H3
InChIKeyGNUDZYVXYHZVJO-UHFFFAOYSA-N
MW310.26 g/mol
LogP5.39
Rot. Bonds3

About 4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole

4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole (PubChem CID 79838983) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole
PubChem CID79838983
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole
SMILESCCC(C)c1nc(-c2cccc(Br)c2)c(C)s1
InChIInChI=1S/C14H16BrNS/c1-4-9(2)14-16-13(10(3)17-14)11-6-5-7-12(15)8-11/h5-9H,4H2,1-3H3
InChIKeyGNUDZYVXYHZVJO-UHFFFAOYSA-N
XLogP5.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.26
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole (CID 79838983) is 4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole is CCC(C)c1nc(-c2cccc(Br)c2)c(C)s1.
What is the InChIKey of 4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole?
The InChIKey is GNUDZYVXYHZVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-4-9(2)14-16-13(10(3)17-14)11-6-5-7-12(15)8-11/h5-9H,4H2,1-3H3.
What are the key properties of 4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole?
4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole has a molecular weight of 310.26 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole is sourced from PubChem (CID 79838983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).