1-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one

C16H12F3N5OS — CID 55604245

IUPAC1-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1CC1CSc2nnc(-c3cccnc3)n21
InChIInChI=1S/C16H12F3N5OS/c17-16(18,19)12-4-2-6-23(14(12)25)8-11-9-26-15-22-21-13(24(11)15)10-3-1-5-20-7-10/h1-7,11H,8-9H2
InChIKeySXFJCZLGIQOSOL-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.87
Rot. Bonds3

About 1-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one

1-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 55604245) has the molecular formula C16H12F3N5OS and a molecular weight of 379.37 g/mol. Its IUPAC name is 1-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID55604245
Molecular FormulaC16H12F3N5OS
Molecular Weight379.37 g/mol
Exact Mass379.07
IUPAC Name1-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1CC1CSc2nnc(-c3cccnc3)n21
InChIInChI=1S/C16H12F3N5OS/c17-16(18,19)12-4-2-6-23(14(12)25)8-11-9-26-15-22-21-13(24(11)15)10-3-1-5-20-7-10/h1-7,11H,8-9H2
InChIKeySXFJCZLGIQOSOL-UHFFFAOYSA-N
XLogP2.87
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one (CID 55604245) is 1-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one is O=c1c(C(F)(F)F)cccn1CC1CSc2nnc(-c3cccnc3)n21.
What is the InChIKey of 1-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is SXFJCZLGIQOSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5OS/c17-16(18,19)12-4-2-6-23(14(12)25)8-11-9-26-15-22-21-13(24(11)15)10-3-1-5-20-7-10/h1-7,11H,8-9H2.
What are the key properties of 1-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
1-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 379.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 55604245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).