N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C17H26ClF3N4OS — CID 120966649

IUPACN-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1nc(C(F)(F)F)c(CN2CCCC(CNC(=O)C3CCCN3)C2)s1.Cl
InChIInChI=1S/C17H25F3N4OS.ClH/c1-11-23-15(17(18,19)20)14(26-11)10-24-7-3-4-12(9-24)8-22-16(25)13-5-2-6-21-13;/h12-13,21H,2-10H2,1H3,(H,22,25);1H
InChIKeyZZUGKTZRYNOUBP-UHFFFAOYSA-N
MW426.94 g/mol
LogP2.97
Rot. Bonds5

About N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120966649) has the molecular formula C17H26ClF3N4OS and a molecular weight of 426.94 g/mol. Its IUPAC name is N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120966649
Molecular FormulaC17H26ClF3N4OS
Molecular Weight426.94 g/mol
Exact Mass426.15
IUPAC NameN-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1nc(C(F)(F)F)c(CN2CCCC(CNC(=O)C3CCCN3)C2)s1.Cl
InChIInChI=1S/C17H25F3N4OS.ClH/c1-11-23-15(17(18,19)20)14(26-11)10-24-7-3-4-12(9-24)8-22-16(25)13-5-2-6-21-13;/h12-13,21H,2-10H2,1H3,(H,22,25);1H
InChIKeyZZUGKTZRYNOUBP-UHFFFAOYSA-N
XLogP2.97
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.94
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride 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-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 120966649) is N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1nc(C(F)(F)F)c(CN2CCCC(CNC(=O)C3CCCN3)C2)s1.Cl.
What is the InChIKey of N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ZZUGKTZRYNOUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4OS.ClH/c1-11-23-15(17(18,19)20)14(26-11)10-24-7-3-4-12(9-24)8-22-16(25)13-5-2-6-21-13;/h12-13,21H,2-10H2,1H3,(H,22,25);1H.
What are the key properties of N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 426.94 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120966649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).