2-[4-methyl-6-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole

C13H9F3N4S2 — CID 91544937

IUPAC2-[4-methyl-6-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cc(-c2ncc(C)s2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C13H9F3N4S2/c1-6-3-8(11-17-4-7(2)22-11)19-10(18-6)12-20-9(5-21-12)13(14,15)16/h3-5H,1-2H3
InChIKeyLLSULMUILJHNOZ-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.36
Rot. Bonds2

About 2-[4-methyl-6-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[4-methyl-6-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 91544937) has the molecular formula C13H9F3N4S2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[4-methyl-6-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-methyl-6-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID91544937
Molecular FormulaC13H9F3N4S2
Molecular Weight342.37 g/mol
Exact Mass342.02
IUPAC Name2-[4-methyl-6-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cc(-c2ncc(C)s2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C13H9F3N4S2/c1-6-3-8(11-17-4-7(2)22-11)19-10(18-6)12-20-9(5-21-12)13(14,15)16/h3-5H,1-2H3
InChIKeyLLSULMUILJHNOZ-UHFFFAOYSA-N
XLogP4.36
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-methyl-6-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 91544937) is 2-[4-methyl-6-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-methyl-6-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-methyl-6-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is Cc1cc(-c2ncc(C)s2)nc(-c2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 2-[4-methyl-6-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is LLSULMUILJHNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4S2/c1-6-3-8(11-17-4-7(2)22-11)19-10(18-6)12-20-9(5-21-12)13(14,15)16/h3-5H,1-2H3.
What are the key properties of 2-[4-methyl-6-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-methyl-6-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 342.37 g/mol, XLogP of 4.36, 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-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 91544937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).