2-(4-fluorophenyl)-3-pyrimidin-4-yl-2H-1,3-thiazole

C13H10FN3S — CID 174926177

IUPAC2-(4-fluorophenyl)-3-pyrimidin-4-yl-2H-1,3-thiazole
SMILESFc1ccc(C2SC=CN2c2ccncn2)cc1
InChIInChI=1S/C13H10FN3S/c14-11-3-1-10(2-4-11)13-17(7-8-18-13)12-5-6-15-9-16-12/h1-9,13H
InChIKeyOZODKCNYPTYXAP-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.34
Rot. Bonds2

About 2-(4-fluorophenyl)-3-pyrimidin-4-yl-2H-1,3-thiazole

2-(4-fluorophenyl)-3-pyrimidin-4-yl-2H-1,3-thiazole (PubChem CID 174926177) has the molecular formula C13H10FN3S and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-pyrimidin-4-yl-2H-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-pyrimidin-4-yl-2H-1,3-thiazole
PubChem CID174926177
Molecular FormulaC13H10FN3S
Molecular Weight259.31 g/mol
Exact Mass259.06
IUPAC Name2-(4-fluorophenyl)-3-pyrimidin-4-yl-2H-1,3-thiazole
SMILESFc1ccc(C2SC=CN2c2ccncn2)cc1
InChIInChI=1S/C13H10FN3S/c14-11-3-1-10(2-4-11)13-17(7-8-18-13)12-5-6-15-9-16-12/h1-9,13H
InChIKeyOZODKCNYPTYXAP-UHFFFAOYSA-N
XLogP3.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-3-pyrimidin-4-yl-2H-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-(4-fluorophenyl)-3-pyrimidin-4-yl-2H-1,3-thiazole?
The IUPAC name of 2-(4-fluorophenyl)-3-pyrimidin-4-yl-2H-1,3-thiazole (CID 174926177) is 2-(4-fluorophenyl)-3-pyrimidin-4-yl-2H-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-3-pyrimidin-4-yl-2H-1,3-thiazole?
The canonical SMILES for 2-(4-fluorophenyl)-3-pyrimidin-4-yl-2H-1,3-thiazole is Fc1ccc(C2SC=CN2c2ccncn2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-pyrimidin-4-yl-2H-1,3-thiazole?
The InChIKey is OZODKCNYPTYXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S/c14-11-3-1-10(2-4-11)13-17(7-8-18-13)12-5-6-15-9-16-12/h1-9,13H.
What are the key properties of 2-(4-fluorophenyl)-3-pyrimidin-4-yl-2H-1,3-thiazole?
2-(4-fluorophenyl)-3-pyrimidin-4-yl-2H-1,3-thiazole has a molecular weight of 259.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-pyrimidin-4-yl-2H-1,3-thiazole is sourced from PubChem (CID 174926177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).