2-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole

C12H7F3N4S2 — CID 91278345

IUPAC2-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cnc(-c2ccnc(-c3nc(C(F)(F)F)cs3)n2)s1
InChIInChI=1S/C12H7F3N4S2/c1-6-4-17-10(21-6)7-2-3-16-9(18-7)11-19-8(5-20-11)12(13,14)15/h2-5H,1H3
InChIKeyOLYBBPXNIPGWKU-UHFFFAOYSA-N
MW328.34 g/mol
LogP4.05
Rot. Bonds2

About 2-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 91278345) has the molecular formula C12H7F3N4S2 and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID91278345
Molecular FormulaC12H7F3N4S2
Molecular Weight328.34 g/mol
Exact Mass328.01
IUPAC Name2-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cnc(-c2ccnc(-c3nc(C(F)(F)F)cs3)n2)s1
InChIInChI=1S/C12H7F3N4S2/c1-6-4-17-10(21-6)7-2-3-16-9(18-7)11-19-8(5-20-11)12(13,14)15/h2-5H,1H3
InChIKeyOLYBBPXNIPGWKU-UHFFFAOYSA-N
XLogP4.05
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-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-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 91278345) is 2-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is Cc1cnc(-c2ccnc(-c3nc(C(F)(F)F)cs3)n2)s1.
What is the InChIKey of 2-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is OLYBBPXNIPGWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4S2/c1-6-4-17-10(21-6)7-2-3-16-9(18-7)11-19-8(5-20-11)12(13,14)15/h2-5H,1H3.
What are the key properties of 2-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 328.34 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 91278345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).