N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C14H22ClN7OS — CID 119705877

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(C)(C)c1nnc(NC(=O)c2cn(C3CCNCC3)nn2)s1.Cl
InChIInChI=1S/C14H21N7OS.ClH/c1-14(2,3)12-18-19-13(23-12)16-11(22)10-8-21(20-17-10)9-4-6-15-7-5-9;/h8-9,15H,4-7H2,1-3H3,(H,16,19,22);1H
InChIKeyUYQNXVKEBGCEAW-UHFFFAOYSA-N
MW371.90 g/mol
LogP2.03
Rot. Bonds3

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119705877) has the molecular formula C14H22ClN7OS and a molecular weight of 371.90 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119705877
Molecular FormulaC14H22ClN7OS
Molecular Weight371.90 g/mol
Exact Mass371.13
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(C)(C)c1nnc(NC(=O)c2cn(C3CCNCC3)nn2)s1.Cl
InChIInChI=1S/C14H21N7OS.ClH/c1-14(2,3)12-18-19-13(23-12)16-11(22)10-8-21(20-17-10)9-4-6-15-7-5-9;/h8-9,15H,4-7H2,1-3H3,(H,16,19,22);1H
InChIKeyUYQNXVKEBGCEAW-UHFFFAOYSA-N
XLogP2.03
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.90
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119745115
N-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119755289
N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119785981
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 86780246
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119777299
N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709312
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119769642
N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283426
N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119707297
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119705877) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CC(C)(C)c1nnc(NC(=O)c2cn(C3CCNCC3)nn2)s1.Cl.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is UYQNXVKEBGCEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7OS.ClH/c1-14(2,3)12-18-19-13(23-12)16-11(22)10-8-21(20-17-10)9-4-6-15-7-5-9;/h8-9,15H,4-7H2,1-3H3,(H,16,19,22);1H.
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 371.90 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119705877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).