N-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C13H19ClN6OS — CID 119755289

IUPACN-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCc1cnc(NC(=O)c2cn(C3CCNCC3)nn2)s1.Cl
InChIInChI=1S/C13H18N6OS.ClH/c1-2-10-7-15-13(21-10)16-12(20)11-8-19(18-17-11)9-3-5-14-6-4-9;/h7-9,14H,2-6H2,1H3,(H,15,16,20);1H
InChIKeyYSUNWGTYNRYYKL-UHFFFAOYSA-N
MW342.86 g/mol
LogP1.90
Rot. Bonds4

About N-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119755289) has the molecular formula C13H19ClN6OS and a molecular weight of 342.86 g/mol. Its IUPAC name is N-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119755289
Molecular FormulaC13H19ClN6OS
Molecular Weight342.86 g/mol
Exact Mass342.10
IUPAC NameN-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCc1cnc(NC(=O)c2cn(C3CCNCC3)nn2)s1.Cl
InChIInChI=1S/C13H18N6OS.ClH/c1-2-10-7-15-13(21-10)16-12(20)11-8-19(18-17-11)9-3-5-14-6-4-9;/h7-9,14H,2-6H2,1H3,(H,15,16,20);1H
InChIKeyYSUNWGTYNRYYKL-UHFFFAOYSA-N
XLogP1.90
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.86
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 86780246
N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119727861
1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 119688117
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119705877
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284575
N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119785981
N-(4-ethoxy-3-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688375
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119745115
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714079
1-piperidin-4-yl-N-[4-(propylsulfonylamino)phenyl]triazole-4-carboxamide;hydrochloride
CID 119754212

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119755289) is N-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCc1cnc(NC(=O)c2cn(C3CCNCC3)nn2)s1.Cl.
What is the InChIKey of N-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is YSUNWGTYNRYYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS.ClH/c1-2-10-7-15-13(21-10)16-12(20)11-8-19(18-17-11)9-3-5-14-6-4-9;/h7-9,14H,2-6H2,1H3,(H,15,16,20);1H.
What are the key properties of N-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 342.86 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119755289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).