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

C14H16FNS — CID 18342650

IUPAC4-[(4-fluorophenyl)methyl]-5-methyl-2-propan-2-yl-1,3-thiazole
SMILESCc1sc(C(C)C)nc1Cc1ccc(F)cc1
InChIInChI=1S/C14H16FNS/c1-9(2)14-16-13(10(3)17-14)8-11-4-6-12(15)7-5-11/h4-7,9H,8H2,1-3H3
InChIKeyGTFQEYOMVPDAMY-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.30
Rot. Bonds3

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

4-[(4-fluorophenyl)methyl]-5-methyl-2-propan-2-yl-1,3-thiazole (PubChem CID 18342650) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-5-methyl-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-5-methyl-2-propan-2-yl-1,3-thiazole
PubChem CID18342650
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name4-[(4-fluorophenyl)methyl]-5-methyl-2-propan-2-yl-1,3-thiazole
SMILESCc1sc(C(C)C)nc1Cc1ccc(F)cc1
InChIInChI=1S/C14H16FNS/c1-9(2)14-16-13(10(3)17-14)8-11-4-6-12(15)7-5-11/h4-7,9H,8H2,1-3H3
InChIKeyGTFQEYOMVPDAMY-UHFFFAOYSA-N
XLogP4.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(4-fluorophenyl)methyl]-5-methyl-2-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 4-[(4-fluorophenyl)methyl]-5-methyl-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-5-methyl-2-propan-2-yl-1,3-thiazole (CID 18342650) is 4-[(4-fluorophenyl)methyl]-5-methyl-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-5-methyl-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-5-methyl-2-propan-2-yl-1,3-thiazole is Cc1sc(C(C)C)nc1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-5-methyl-2-propan-2-yl-1,3-thiazole?
The InChIKey is GTFQEYOMVPDAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-9(2)14-16-13(10(3)17-14)8-11-4-6-12(15)7-5-11/h4-7,9H,8H2,1-3H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-5-methyl-2-propan-2-yl-1,3-thiazole?
4-[(4-fluorophenyl)methyl]-5-methyl-2-propan-2-yl-1,3-thiazole has a molecular weight of 249.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-5-methyl-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 18342650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).