N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C18H21ClN6OS — CID 119754268

IUPACN-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2nc(C3CC3)sc2c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H20N6OS.ClH/c25-17(15-10-24(23-22-15)13-5-7-19-8-6-13)20-12-3-4-14-16(9-12)26-18(21-14)11-1-2-11;/h3-4,9-11,13,19H,1-2,5-8H2,(H,20,25);1H
InChIKeyKNQKUNGYDUOSRG-UHFFFAOYSA-N
MW404.93 g/mol
LogP3.36
Rot. Bonds4

About N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119754268) has the molecular formula C18H21ClN6OS and a molecular weight of 404.93 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119754268
Molecular FormulaC18H21ClN6OS
Molecular Weight404.93 g/mol
Exact Mass404.12
IUPAC NameN-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2nc(C3CC3)sc2c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H20N6OS.ClH/c25-17(15-10-24(23-22-15)13-5-7-19-8-6-13)20-12-3-4-14-16(9-12)26-18(21-14)11-1-2-11;/h3-4,9-11,13,19H,1-2,5-8H2,(H,20,25);1H
InChIKeyKNQKUNGYDUOSRG-UHFFFAOYSA-N
XLogP3.36
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.93
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide;hydrochloride
CID 119753620
1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide
CID 119753621
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119679642
N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119702697
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119702447
N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119770027
1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119828958
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119860361
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119672434

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119754268) is N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2nc(C3CC3)sc2c1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is KNQKUNGYDUOSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS.ClH/c25-17(15-10-24(23-22-15)13-5-7-19-8-6-13)20-12-3-4-14-16(9-12)26-18(21-14)11-1-2-11;/h3-4,9-11,13,19H,1-2,5-8H2,(H,20,25);1H.
What are the key properties of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 404.93 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119754268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).