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

C13H14FNS — CID 142184130

IUPAC5-(2-fluorophenyl)-2-methyl-4-propan-2-yl-1,3-thiazole
SMILESCc1nc(C(C)C)c(-c2ccccc2F)s1
InChIInChI=1S/C13H14FNS/c1-8(2)12-13(16-9(3)15-12)10-6-4-5-7-11(10)14/h4-8H,1-3H3
InChIKeyLPKGTNQCBSXQLO-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.38
Rot. Bonds2

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

5-(2-fluorophenyl)-2-methyl-4-propan-2-yl-1,3-thiazole (PubChem CID 142184130) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-2-methyl-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-2-methyl-4-propan-2-yl-1,3-thiazole
PubChem CID142184130
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name5-(2-fluorophenyl)-2-methyl-4-propan-2-yl-1,3-thiazole
SMILESCc1nc(C(C)C)c(-c2ccccc2F)s1
InChIInChI=1S/C13H14FNS/c1-8(2)12-13(16-9(3)15-12)10-6-4-5-7-11(10)14/h4-8H,1-3H3
InChIKeyLPKGTNQCBSXQLO-UHFFFAOYSA-N
XLogP4.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2-fluorophenyl)-2-methyl-4-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-(2-fluorophenyl)-2-methyl-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-(2-fluorophenyl)-2-methyl-4-propan-2-yl-1,3-thiazole (CID 142184130) is 5-(2-fluorophenyl)-2-methyl-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-(2-fluorophenyl)-2-methyl-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-(2-fluorophenyl)-2-methyl-4-propan-2-yl-1,3-thiazole is Cc1nc(C(C)C)c(-c2ccccc2F)s1.
What is the InChIKey of 5-(2-fluorophenyl)-2-methyl-4-propan-2-yl-1,3-thiazole?
The InChIKey is LPKGTNQCBSXQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-8(2)12-13(16-9(3)15-12)10-6-4-5-7-11(10)14/h4-8H,1-3H3.
What are the key properties of 5-(2-fluorophenyl)-2-methyl-4-propan-2-yl-1,3-thiazole?
5-(2-fluorophenyl)-2-methyl-4-propan-2-yl-1,3-thiazole has a molecular weight of 235.33 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-2-methyl-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 142184130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).