2-(3,3-difluorocyclobutyl)-5-methyl-1,3-thiazole

C8H9F2NS — CID 162613771

IUPAC2-(3,3-difluorocyclobutyl)-5-methyl-1,3-thiazole
SMILESCc1cnc(C2CC(F)(F)C2)s1
InChIInChI=1S/C8H9F2NS/c1-5-4-11-7(12-5)6-2-8(9,10)3-6/h4,6H,2-3H2,1H3
InChIKeyQNODQFJLUWNIOE-UHFFFAOYSA-N
MW189.23 g/mol
LogP2.96
Rot. Bonds1

About 2-(3,3-difluorocyclobutyl)-5-methyl-1,3-thiazole

2-(3,3-difluorocyclobutyl)-5-methyl-1,3-thiazole (PubChem CID 162613771) has the molecular formula C8H9F2NS and a molecular weight of 189.23 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-5-methyl-1,3-thiazole
PubChem CID162613771
Molecular FormulaC8H9F2NS
Molecular Weight189.23 g/mol
Exact Mass189.04
IUPAC Name2-(3,3-difluorocyclobutyl)-5-methyl-1,3-thiazole
SMILESCc1cnc(C2CC(F)(F)C2)s1
InChIInChI=1S/C8H9F2NS/c1-5-4-11-7(12-5)6-2-8(9,10)3-6/h4,6H,2-3H2,1H3
InChIKeyQNODQFJLUWNIOE-UHFFFAOYSA-N
XLogP2.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,3-difluorocyclobutyl)-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 2-(3,3-difluorocyclobutyl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-5-methyl-1,3-thiazole (CID 162613771) is 2-(3,3-difluorocyclobutyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-5-methyl-1,3-thiazole is Cc1cnc(C2CC(F)(F)C2)s1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-5-methyl-1,3-thiazole?
The InChIKey is QNODQFJLUWNIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NS/c1-5-4-11-7(12-5)6-2-8(9,10)3-6/h4,6H,2-3H2,1H3.
What are the key properties of 2-(3,3-difluorocyclobutyl)-5-methyl-1,3-thiazole?
2-(3,3-difluorocyclobutyl)-5-methyl-1,3-thiazole has a molecular weight of 189.23 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 162613771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).