6-methyl-5-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole

C16H10F3N5S — CID 632351

IUPAC6-methyl-5-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1c(-c2ccnc(-c3ccccc3)n2)sc2nc(C(F)(F)F)nn12
InChIInChI=1S/C16H10F3N5S/c1-9-12(25-15-22-14(16(17,18)19)23-24(9)15)11-7-8-20-13(21-11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyGDBYNTYLTOZZQL-UHFFFAOYSA-N
MW361.35 g/mol
LogP4.24
Rot. Bonds2

About 6-methyl-5-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole

6-methyl-5-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (PubChem CID 632351) has the molecular formula C16H10F3N5S and a molecular weight of 361.35 g/mol. Its IUPAC name is 6-methyl-5-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.

Molecular Properties

Compound Name6-methyl-5-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
PubChem CID632351
Molecular FormulaC16H10F3N5S
Molecular Weight361.35 g/mol
Exact Mass361.06
IUPAC Name6-methyl-5-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1c(-c2ccnc(-c3ccccc3)n2)sc2nc(C(F)(F)F)nn12
InChIInChI=1S/C16H10F3N5S/c1-9-12(25-15-22-14(16(17,18)19)23-24(9)15)11-7-8-20-13(21-11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyGDBYNTYLTOZZQL-UHFFFAOYSA-N
XLogP4.24
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The IUPAC name of 6-methyl-5-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (CID 632351) is 6-methyl-5-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.
What is the SMILES notation for 6-methyl-5-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The canonical SMILES for 6-methyl-5-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is Cc1c(-c2ccnc(-c3ccccc3)n2)sc2nc(C(F)(F)F)nn12.
What is the InChIKey of 6-methyl-5-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The InChIKey is GDBYNTYLTOZZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5S/c1-9-12(25-15-22-14(16(17,18)19)23-24(9)15)11-7-8-20-13(21-11)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 6-methyl-5-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
6-methyl-5-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole has a molecular weight of 361.35 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is sourced from PubChem (CID 632351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).