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

C14H10F3N3S2 — CID 90771692

IUPAC2-[4-methyl-6-(5-methylthiophen-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cc(-c2ccc(C)s2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C14H10F3N3S2/c1-7-5-9(10-4-3-8(2)22-10)19-12(18-7)13-20-11(6-21-13)14(15,16)17/h3-6H,1-2H3
InChIKeyAVIQBQWQTKLFKB-UHFFFAOYSA-N
MW341.38 g/mol
LogP4.96
Rot. Bonds2

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

2-[4-methyl-6-(5-methylthiophen-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 90771692) has the molecular formula C14H10F3N3S2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 2-[4-methyl-6-(5-methylthiophen-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-methyl-6-(5-methylthiophen-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID90771692
Molecular FormulaC14H10F3N3S2
Molecular Weight341.38 g/mol
Exact Mass341.03
IUPAC Name2-[4-methyl-6-(5-methylthiophen-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cc(-c2ccc(C)s2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C14H10F3N3S2/c1-7-5-9(10-4-3-8(2)22-10)19-12(18-7)13-20-11(6-21-13)14(15,16)17/h3-6H,1-2H3
InChIKeyAVIQBQWQTKLFKB-UHFFFAOYSA-N
XLogP4.96
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(5-methylthiophen-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-methyl-6-(5-methylthiophen-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 90771692) is 2-[4-methyl-6-(5-methylthiophen-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-methyl-6-(5-methylthiophen-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-methyl-6-(5-methylthiophen-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is Cc1cc(-c2ccc(C)s2)nc(-c2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 2-[4-methyl-6-(5-methylthiophen-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is AVIQBQWQTKLFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3S2/c1-7-5-9(10-4-3-8(2)22-10)19-12(18-7)13-20-11(6-21-13)14(15,16)17/h3-6H,1-2H3.
What are the key properties of 2-[4-methyl-6-(5-methylthiophen-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-methyl-6-(5-methylthiophen-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 341.38 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(5-methylthiophen-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 90771692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).