4-[(4-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole

C13H14FNS2 — CID 78850529

IUPAC4-[(4-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(CSc2ccc(F)cc2)cs1
InChIInChI=1S/C13H14FNS2/c1-2-3-13-15-11(9-17-13)8-16-12-6-4-10(14)5-7-12/h4-7,9H,2-3,8H2,1H3
InChIKeySTSBRLDKMWYFNA-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.53
Rot. Bonds5

About 4-[(4-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole

4-[(4-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole (PubChem CID 78850529) has the molecular formula C13H14FNS2 and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole
PubChem CID78850529
Molecular FormulaC13H14FNS2
Molecular Weight267.39 g/mol
Exact Mass267.06
IUPAC Name4-[(4-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(CSc2ccc(F)cc2)cs1
InChIInChI=1S/C13H14FNS2/c1-2-3-13-15-11(9-17-13)8-16-12-6-4-10(14)5-7-12/h4-7,9H,2-3,8H2,1H3
InChIKeySTSBRLDKMWYFNA-UHFFFAOYSA-N
XLogP4.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(4-fluorophenyl)sulfanylmethyl]-2-propyl-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)sulfanylmethyl]-2-propyl-1,3-thiazole?
The IUPAC name of 4-[(4-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole (CID 78850529) is 4-[(4-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole?
The canonical SMILES for 4-[(4-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole is CCCc1nc(CSc2ccc(F)cc2)cs1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole?
The InChIKey is STSBRLDKMWYFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS2/c1-2-3-13-15-11(9-17-13)8-16-12-6-4-10(14)5-7-12/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole?
4-[(4-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole has a molecular weight of 267.39 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole is sourced from PubChem (CID 78850529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).