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

C15H20ClF3N6OS — CID 119812988

IUPACN,5-dimethyl-1-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]triazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C15H19F3N6OS.ClH/c1-9-13(21-22-24(9)10-3-5-19-6-4-10)14(25)23(2)7-12-20-11(8-26-12)15(16,17)18;/h8,10,19H,3-7H2,1-2H3;1H
InChIKeyFJNJRLWOEJRYNW-UHFFFAOYSA-N
MW424.88 g/mol
LogP2.68
Rot. Bonds4

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

N,5-dimethyl-1-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]triazole-4-carboxamide;hydrochloride (PubChem CID 119812988) has the molecular formula C15H20ClF3N6OS and a molecular weight of 424.88 g/mol. Its IUPAC name is N,5-dimethyl-1-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,5-dimethyl-1-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]triazole-4-carboxamide;hydrochloride
PubChem CID119812988
Molecular FormulaC15H20ClF3N6OS
Molecular Weight424.88 g/mol
Exact Mass424.11
IUPAC NameN,5-dimethyl-1-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]triazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C15H19F3N6OS.ClH/c1-9-13(21-22-24(9)10-3-5-19-6-4-10)14(25)23(2)7-12-20-11(8-26-12)15(16,17)18;/h8,10,19H,3-7H2,1-2H3;1H
InChIKeyFJNJRLWOEJRYNW-UHFFFAOYSA-N
XLogP2.68
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 119737494
N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672305
N-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119681572
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766858
N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119722097
N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
CID 119813020
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681231
N-(1-adamantylmethyl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119730839
N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119799769
5-methyl-1-piperidin-4-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]triazole-4-carboxamide
CID 119708103
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119869509
N-(2,3-dihydro-1H-inden-2-yl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746179

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of N,5-dimethyl-1-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]triazole-4-carboxamide;hydrochloride (CID 119812988) is N,5-dimethyl-1-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N,5-dimethyl-1-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for N,5-dimethyl-1-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]triazole-4-carboxamide;hydrochloride is Cc1c(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)nnn1C1CCNCC1.Cl.
What is the InChIKey of N,5-dimethyl-1-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is FJNJRLWOEJRYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6OS.ClH/c1-9-13(21-22-24(9)10-3-5-19-6-4-10)14(25)23(2)7-12-20-11(8-26-12)15(16,17)18;/h8,10,19H,3-7H2,1-2H3;1H.
What are the key properties of N,5-dimethyl-1-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]triazole-4-carboxamide;hydrochloride?
N,5-dimethyl-1-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]triazole-4-carboxamide;hydrochloride has a molecular weight of 424.88 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119812988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).