2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole

C12H7F3N4S2 — CID 91356546

IUPAC2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cc(-c2nccs2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C12H7F3N4S2/c1-6-4-7(10-16-2-3-20-10)18-9(17-6)11-19-8(5-21-11)12(13,14)15/h2-5H,1H3
InChIKeyYCOHMNAQJZPKSD-UHFFFAOYSA-N
MW328.34 g/mol
LogP4.05
Rot. Bonds2

About 2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 91356546) has the molecular formula C12H7F3N4S2 and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID91356546
Molecular FormulaC12H7F3N4S2
Molecular Weight328.34 g/mol
Exact Mass328.01
IUPAC Name2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cc(-c2nccs2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C12H7F3N4S2/c1-6-4-7(10-16-2-3-20-10)18-9(17-6)11-19-8(5-21-11)12(13,14)15/h2-5H,1H3
InChIKeyYCOHMNAQJZPKSD-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

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Related Compounds

4-Methyl-5-(2-methylpyrimidin-4-yl)-2-(2-thienyl)-1,3-thiazole
CID 2744269
2-[2-Butylsulfinyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 135300264
2-Pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazole
CID 145967929
Ethanamine, N,N-dimethyl-2-((4-(2-thiazolyl)-2-pyrimidinyl)thio)-
CID 452514
2-Amino-6-(thiazol-2-yl)-4-(trifluoromethyl)pyrimidine
CID 2823377
N-Methyl-N-[(2-methyl-1,3-thiazol-4-YL)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 72880410
2-[2-Butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 135300265
2-[2-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 2823397
2-Methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole
CID 45867204
N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56872487
2-ethyl-4-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-2-yl}pyrimidine
CID 56872847
2-[2-(3,4,4-Trifluorobut-3-enylsulfanyl)pyrimidin-4-yl]-1,3-thiazole
CID 58641799

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 91356546) is 2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is Cc1cc(-c2nccs2)nc(-c2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is YCOHMNAQJZPKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4S2/c1-6-4-7(10-16-2-3-20-10)18-9(17-6)11-19-8(5-21-11)12(13,14)15/h2-5H,1H3.
What are the key properties of 2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-methyl-6-(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-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 91356546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).