N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C20H15ClF3N5OS — CID 23474284

IUPACN-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCCc3nnc4c(C(F)(F)F)cc(Cl)cn34)cs2)cc1
InChIInChI=1S/C20H15ClF3N5OS/c1-11-2-4-12(5-3-11)19-26-15(10-31-19)18(30)25-7-6-16-27-28-17-14(20(22,23)24)8-13(21)9-29(16)17/h2-5,8-10H,6-7H2,1H3,(H,25,30)
InChIKeyDOCWBSABAKVCNK-UHFFFAOYSA-N
MW465.89 g/mol
LogP4.81
Rot. Bonds5

About N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 23474284) has the molecular formula C20H15ClF3N5OS and a molecular weight of 465.89 g/mol. Its IUPAC name is N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID23474284
Molecular FormulaC20H15ClF3N5OS
Molecular Weight465.89 g/mol
Exact Mass465.06
IUPAC NameN-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCCc3nnc4c(C(F)(F)F)cc(Cl)cn34)cs2)cc1
InChIInChI=1S/C20H15ClF3N5OS/c1-11-2-4-12(5-3-11)19-26-15(10-31-19)18(30)25-7-6-16-27-28-17-14(20(22,23)24)8-13(21)9-29(16)17/h2-5,8-10H,6-7H2,1H3,(H,25,30)
InChIKeyDOCWBSABAKVCNK-UHFFFAOYSA-N
XLogP4.81
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.89
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide 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 N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 23474284) is N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)NCCc3nnc4c(C(F)(F)F)cc(Cl)cn34)cs2)cc1.
What is the InChIKey of N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DOCWBSABAKVCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N5OS/c1-11-2-4-12(5-3-11)19-26-15(10-31-19)18(30)25-7-6-16-27-28-17-14(20(22,23)24)8-13(21)9-29(16)17/h2-5,8-10H,6-7H2,1H3,(H,25,30).
What are the key properties of N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 465.89 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 23474284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).