4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

C18H22F3N5OS — CID 59108567

IUPAC4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESCC(C)(c1csc(-c2cccnc2)n1)N1CCNC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C18H22F3N5OS/c1-17(2,14-10-28-16(25-14)12-4-3-5-22-8-12)26-7-6-23-13(9-26)15(27)24-11-18(19,20)21/h3-5,8,10,13,23H,6-7,9,11H2,1-2H3,(H,24,27)
InChIKeyXIBZIYNEOFRTQD-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.39
Rot. Bonds5

About 4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (PubChem CID 59108567) has the molecular formula C18H22F3N5OS and a molecular weight of 413.47 g/mol. Its IUPAC name is 4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
PubChem CID59108567
Molecular FormulaC18H22F3N5OS
Molecular Weight413.47 g/mol
Exact Mass413.15
IUPAC Name4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESCC(C)(c1csc(-c2cccnc2)n1)N1CCNC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C18H22F3N5OS/c1-17(2,14-10-28-16(25-14)12-4-3-5-22-8-12)26-7-6-23-13(9-26)15(27)24-11-18(19,20)21/h3-5,8,10,13,23H,6-7,9,11H2,1-2H3,(H,24,27)
InChIKeyXIBZIYNEOFRTQD-UHFFFAOYSA-N
XLogP2.39
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-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 4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The IUPAC name of 4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (CID 59108567) is 4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The canonical SMILES for 4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is CC(C)(c1csc(-c2cccnc2)n1)N1CCNC(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The InChIKey is XIBZIYNEOFRTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5OS/c1-17(2,14-10-28-16(25-14)12-4-3-5-22-8-12)26-7-6-23-13(9-26)15(27)24-11-18(19,20)21/h3-5,8,10,13,23H,6-7,9,11H2,1-2H3,(H,24,27).
What are the key properties of 4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is sourced from PubChem (CID 59108567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).