2-(2,4-difluorophenyl)-4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole

C15H13F2N5S — CID 67452915

IUPAC2-(2,4-difluorophenyl)-4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
SMILESCC1NCCn2c(-c3csc(-c4ccc(F)cc4F)n3)nnc21
InChIInChI=1S/C15H13F2N5S/c1-8-13-20-21-14(22(13)5-4-18-8)12-7-23-15(19-12)10-3-2-9(16)6-11(10)17/h2-3,6-8,18H,4-5H2,1H3
InChIKeyDVFQICYWNKFVGW-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.01
Rot. Bonds2

About 2-(2,4-difluorophenyl)-4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole

2-(2,4-difluorophenyl)-4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole (PubChem CID 67452915) has the molecular formula C15H13F2N5S and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
PubChem CID67452915
Molecular FormulaC15H13F2N5S
Molecular Weight333.37 g/mol
Exact Mass333.09
IUPAC Name2-(2,4-difluorophenyl)-4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
SMILESCC1NCCn2c(-c3csc(-c4ccc(F)cc4F)n3)nnc21
InChIInChI=1S/C15H13F2N5S/c1-8-13-20-21-14(22(13)5-4-18-8)12-7-23-15(19-12)10-3-2-9(16)6-11(10)17/h2-3,6-8,18H,4-5H2,1H3
InChIKeyDVFQICYWNKFVGW-UHFFFAOYSA-N
XLogP3.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole?
The IUPAC name of 2-(2,4-difluorophenyl)-4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole (CID 67452915) is 2-(2,4-difluorophenyl)-4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole is CC1NCCn2c(-c3csc(-c4ccc(F)cc4F)n3)nnc21.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole?
The InChIKey is DVFQICYWNKFVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5S/c1-8-13-20-21-14(22(13)5-4-18-8)12-7-23-15(19-12)10-3-2-9(16)6-11(10)17/h2-3,6-8,18H,4-5H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole?
2-(2,4-difluorophenyl)-4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole has a molecular weight of 333.37 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole is sourced from PubChem (CID 67452915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).