4-methyl-2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3-thiazole

C14H11F3N4S — CID 58416022

IUPAC4-methyl-2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccn(CC(F)(F)F)n1
InChIInChI=1S/C14H11F3N4S/c1-9-12(11-4-6-21(20-11)8-14(15,16)17)22-13(19-9)10-3-2-5-18-7-10/h2-7H,8H2,1H3
InChIKeyDZXLECHYUNAIDL-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.94
Rot. Bonds3

About 4-methyl-2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3-thiazole

4-methyl-2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3-thiazole (PubChem CID 58416022) has the molecular formula C14H11F3N4S and a molecular weight of 324.33 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3-thiazole
PubChem CID58416022
Molecular FormulaC14H11F3N4S
Molecular Weight324.33 g/mol
Exact Mass324.07
IUPAC Name4-methyl-2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccn(CC(F)(F)F)n1
InChIInChI=1S/C14H11F3N4S/c1-9-12(11-4-6-21(20-11)8-14(15,16)17)22-13(19-9)10-3-2-5-18-7-10/h2-7H,8H2,1H3
InChIKeyDZXLECHYUNAIDL-UHFFFAOYSA-N
XLogP3.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-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-methyl-2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3-thiazole (CID 58416022) is 4-methyl-2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3-thiazole is Cc1nc(-c2cccnc2)sc1-c1ccn(CC(F)(F)F)n1.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3-thiazole?
The InChIKey is DZXLECHYUNAIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4S/c1-9-12(11-4-6-21(20-11)8-14(15,16)17)22-13(19-9)10-3-2-5-18-7-10/h2-7H,8H2,1H3.
What are the key properties of 4-methyl-2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3-thiazole?
4-methyl-2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3-thiazole has a molecular weight of 324.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 58416022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).