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

C16H25ClN6OS — CID 86780246

IUPACN-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCCc1nc(NC(=O)c2cn(C3CCNCC3)nn2)sc1CC.Cl
InChIInChI=1S/C16H24N6OS.ClH/c1-3-5-12-14(4-2)24-16(18-12)19-15(23)13-10-22(21-20-13)11-6-8-17-9-7-11;/h10-11,17H,3-9H2,1-2H3,(H,18,19,23);1H
InChIKeyPHUGUKAHTDGINL-UHFFFAOYSA-N
MW384.94 g/mol
LogP2.85
Rot. Bonds6

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

N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 86780246) has the molecular formula C16H25ClN6OS and a molecular weight of 384.94 g/mol. Its IUPAC name is N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID86780246
Molecular FormulaC16H25ClN6OS
Molecular Weight384.94 g/mol
Exact Mass384.15
IUPAC NameN-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCCc1nc(NC(=O)c2cn(C3CCNCC3)nn2)sc1CC.Cl
InChIInChI=1S/C16H24N6OS.ClH/c1-3-5-12-14(4-2)24-16(18-12)19-15(23)13-10-22(21-20-13)11-6-8-17-9-7-11;/h10-11,17H,3-9H2,1-2H3,(H,18,19,23);1H
InChIKeyPHUGUKAHTDGINL-UHFFFAOYSA-N
XLogP2.85
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.94
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 119688117
N-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119755289
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119705877
1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide
CID 75419659
N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119727861
N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119785981
1-piperidin-4-yl-N-[4-(propylsulfonylamino)phenyl]triazole-4-carboxamide;hydrochloride
CID 119754212
N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714079
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119745115
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119687105
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 86780246) is N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCCc1nc(NC(=O)c2cn(C3CCNCC3)nn2)sc1CC.Cl.
What is the InChIKey of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is PHUGUKAHTDGINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS.ClH/c1-3-5-12-14(4-2)24-16(18-12)19-15(23)13-10-22(21-20-13)11-6-8-17-9-7-11;/h10-11,17H,3-9H2,1-2H3,(H,18,19,23);1H.
What are the key properties of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 384.94 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 86780246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).