2,4-dimethyl-5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole

C12H14F3N5S — CID 165430343

IUPAC2,4-dimethyl-5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole
SMILESCc1nc(C)c(CN2CCn3c(nnc3C(F)(F)F)C2)s1
InChIInChI=1S/C12H14F3N5S/c1-7-9(21-8(2)16-7)5-19-3-4-20-10(6-19)17-18-11(20)12(13,14)15/h3-6H2,1-2H3
InChIKeyFFDDVYVKLFHOOM-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.39
Rot. Bonds2

About 2,4-dimethyl-5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole

2,4-dimethyl-5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole (PubChem CID 165430343) has the molecular formula C12H14F3N5S and a molecular weight of 317.34 g/mol. Its IUPAC name is 2,4-dimethyl-5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole
PubChem CID165430343
Molecular FormulaC12H14F3N5S
Molecular Weight317.34 g/mol
Exact Mass317.09
IUPAC Name2,4-dimethyl-5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole
SMILESCc1nc(C)c(CN2CCn3c(nnc3C(F)(F)F)C2)s1
InChIInChI=1S/C12H14F3N5S/c1-7-9(21-8(2)16-7)5-19-3-4-20-10(6-19)17-18-11(20)12(13,14)15/h3-6H2,1-2H3
InChIKeyFFDDVYVKLFHOOM-UHFFFAOYSA-N
XLogP2.39
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4-dimethyl-5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 71928246
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 75373691
4,5-dimethyl-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole
CID 71971880
(1S)-N-methyl-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 125135871
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]methanamine
CID 129396971
(2,4-dimethylthiazol-5-yl)(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 60178674
[4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine
CID 64579481
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 71873033
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 72004996
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 72041051
5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
CID 72927902
2-Methyl-5-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 86791161

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole (CID 165430343) is 2,4-dimethyl-5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole is Cc1nc(C)c(CN2CCn3c(nnc3C(F)(F)F)C2)s1.
What is the InChIKey of 2,4-dimethyl-5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The InChIKey is FFDDVYVKLFHOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5S/c1-7-9(21-8(2)16-7)5-19-3-4-20-10(6-19)17-18-11(20)12(13,14)15/h3-6H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole?
2,4-dimethyl-5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole has a molecular weight of 317.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 165430343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).