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

C13H12BrNS — CID 70791136

IUPAC5-(3-bromophenyl)-2-cyclopropyl-4-methyl-1,3-thiazole
SMILESCc1nc(C2CC2)sc1-c1cccc(Br)c1
InChIInChI=1S/C13H12BrNS/c1-8-12(10-3-2-4-11(14)7-10)16-13(15-8)9-5-6-9/h2-4,7,9H,5-6H2,1H3
InChIKeyHVRHRUIDEDUSEX-UHFFFAOYSA-N
MW294.22 g/mol
LogP4.76
Rot. Bonds2

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

5-(3-bromophenyl)-2-cyclopropyl-4-methyl-1,3-thiazole (PubChem CID 70791136) has the molecular formula C13H12BrNS and a molecular weight of 294.22 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2-cyclopropyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-2-cyclopropyl-4-methyl-1,3-thiazole
PubChem CID70791136
Molecular FormulaC13H12BrNS
Molecular Weight294.22 g/mol
Exact Mass292.99
IUPAC Name5-(3-bromophenyl)-2-cyclopropyl-4-methyl-1,3-thiazole
SMILESCc1nc(C2CC2)sc1-c1cccc(Br)c1
InChIInChI=1S/C13H12BrNS/c1-8-12(10-3-2-4-11(14)7-10)16-13(15-8)9-5-6-9/h2-4,7,9H,5-6H2,1H3
InChIKeyHVRHRUIDEDUSEX-UHFFFAOYSA-N
XLogP4.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3-bromophenyl)-2-cyclopropyl-4-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 5-(3-bromophenyl)-2-cyclopropyl-4-methyl-1,3-thiazole?
The IUPAC name of 5-(3-bromophenyl)-2-cyclopropyl-4-methyl-1,3-thiazole (CID 70791136) is 5-(3-bromophenyl)-2-cyclopropyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(3-bromophenyl)-2-cyclopropyl-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(3-bromophenyl)-2-cyclopropyl-4-methyl-1,3-thiazole is Cc1nc(C2CC2)sc1-c1cccc(Br)c1.
What is the InChIKey of 5-(3-bromophenyl)-2-cyclopropyl-4-methyl-1,3-thiazole?
The InChIKey is HVRHRUIDEDUSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNS/c1-8-12(10-3-2-4-11(14)7-10)16-13(15-8)9-5-6-9/h2-4,7,9H,5-6H2,1H3.
What are the key properties of 5-(3-bromophenyl)-2-cyclopropyl-4-methyl-1,3-thiazole?
5-(3-bromophenyl)-2-cyclopropyl-4-methyl-1,3-thiazole has a molecular weight of 294.22 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-2-cyclopropyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 70791136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).