5-bromo-2-cyclopropyl-4-methyl-1,3-thiazole

C7H8BrNS — CID 58553634

IUPAC5-bromo-2-cyclopropyl-4-methyl-1,3-thiazole
SMILESCc1nc(C2CC2)sc1Br
InChIInChI=1S/C7H8BrNS/c1-4-6(8)10-7(9-4)5-2-3-5/h5H,2-3H2,1H3
InChIKeyFUJOPDRAONSBJY-UHFFFAOYSA-N
MW218.12 g/mol
LogP3.09
Rot. Bonds1

About 5-bromo-2-cyclopropyl-4-methyl-1,3-thiazole

5-bromo-2-cyclopropyl-4-methyl-1,3-thiazole (PubChem CID 58553634) has the molecular formula C7H8BrNS and a molecular weight of 218.12 g/mol. Its IUPAC name is 5-bromo-2-cyclopropyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-cyclopropyl-4-methyl-1,3-thiazole
PubChem CID58553634
Molecular FormulaC7H8BrNS
Molecular Weight218.12 g/mol
Exact Mass216.96
IUPAC Name5-bromo-2-cyclopropyl-4-methyl-1,3-thiazole
SMILESCc1nc(C2CC2)sc1Br
InChIInChI=1S/C7H8BrNS/c1-4-6(8)10-7(9-4)5-2-3-5/h5H,2-3H2,1H3
InChIKeyFUJOPDRAONSBJY-UHFFFAOYSA-N
XLogP3.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-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-bromo-2-cyclopropyl-4-methyl-1,3-thiazole?
The IUPAC name of 5-bromo-2-cyclopropyl-4-methyl-1,3-thiazole (CID 58553634) is 5-bromo-2-cyclopropyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-cyclopropyl-4-methyl-1,3-thiazole?
The canonical SMILES for 5-bromo-2-cyclopropyl-4-methyl-1,3-thiazole is Cc1nc(C2CC2)sc1Br.
What is the InChIKey of 5-bromo-2-cyclopropyl-4-methyl-1,3-thiazole?
The InChIKey is FUJOPDRAONSBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNS/c1-4-6(8)10-7(9-4)5-2-3-5/h5H,2-3H2,1H3.
What are the key properties of 5-bromo-2-cyclopropyl-4-methyl-1,3-thiazole?
5-bromo-2-cyclopropyl-4-methyl-1,3-thiazole has a molecular weight of 218.12 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 58553634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).