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

C12H12BrNS — CID 58910461

IUPAC5-(4-bromophenyl)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C12H12BrNS/c1-8(2)12-14-7-11(15-12)9-3-5-10(13)6-4-9/h3-8H,1-2H3
InChIKeyZZDAEAFJHAWZEN-UHFFFAOYSA-N
MW282.21 g/mol
LogP4.70
Rot. Bonds2

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

5-(4-bromophenyl)-2-propan-2-yl-1,3-thiazole (PubChem CID 58910461) has the molecular formula C12H12BrNS and a molecular weight of 282.21 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-propan-2-yl-1,3-thiazole
PubChem CID58910461
Molecular FormulaC12H12BrNS
Molecular Weight282.21 g/mol
Exact Mass280.99
IUPAC Name5-(4-bromophenyl)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C12H12BrNS/c1-8(2)12-14-7-11(15-12)9-3-5-10(13)6-4-9/h3-8H,1-2H3
InChIKeyZZDAEAFJHAWZEN-UHFFFAOYSA-N
XLogP4.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-bromophenyl)-2-propan-2-yl-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 5-(4-bromophenyl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-(4-bromophenyl)-2-propan-2-yl-1,3-thiazole (CID 58910461) is 5-(4-bromophenyl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-(4-bromophenyl)-2-propan-2-yl-1,3-thiazole is CC(C)c1ncc(-c2ccc(Br)cc2)s1.
What is the InChIKey of 5-(4-bromophenyl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is ZZDAEAFJHAWZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNS/c1-8(2)12-14-7-11(15-12)9-3-5-10(13)6-4-9/h3-8H,1-2H3.
What are the key properties of 5-(4-bromophenyl)-2-propan-2-yl-1,3-thiazole?
5-(4-bromophenyl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 282.21 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 58910461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).