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

C14H14FNS — CID 70261424

IUPAC2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole
SMILESCc1ccc(-c2sc(C3CC3)nc2C)cc1F
InChIInChI=1S/C14H14FNS/c1-8-3-4-11(7-12(8)15)13-9(2)16-14(17-13)10-5-6-10/h3-4,7,10H,5-6H2,1-2H3
InChIKeyJFHCZUXQTSFUHR-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.44
Rot. Bonds2

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

2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole (PubChem CID 70261424) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole
PubChem CID70261424
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC Name2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole
SMILESCc1ccc(-c2sc(C3CC3)nc2C)cc1F
InChIInChI=1S/C14H14FNS/c1-8-3-4-11(7-12(8)15)13-9(2)16-14(17-13)10-5-6-10/h3-4,7,10H,5-6H2,1-2H3
InChIKeyJFHCZUXQTSFUHR-UHFFFAOYSA-N
XLogP4.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-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 2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole (CID 70261424) is 2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole is Cc1ccc(-c2sc(C3CC3)nc2C)cc1F.
What is the InChIKey of 2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole?
The InChIKey is JFHCZUXQTSFUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c1-8-3-4-11(7-12(8)15)13-9(2)16-14(17-13)10-5-6-10/h3-4,7,10H,5-6H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole?
2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole has a molecular weight of 247.34 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 70261424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).