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

C18H23ClN6OS — CID 119753620

IUPAC1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide;hydrochloride
SMILESCC(C)c1nc2ccc(NC(=O)c3cn(C4CCNCC4)nn3)cc2s1.Cl
InChIInChI=1S/C18H22N6OS.ClH/c1-11(2)18-21-14-4-3-12(9-16(14)26-18)20-17(25)15-10-24(23-22-15)13-5-7-19-8-6-13;/h3-4,9-11,13,19H,5-8H2,1-2H3,(H,20,25);1H
InChIKeyOIZQUZZYSHVKSW-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.61
Rot. Bonds4

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

1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide;hydrochloride (PubChem CID 119753620) has the molecular formula C18H23ClN6OS and a molecular weight of 406.94 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide;hydrochloride
PubChem CID119753620
Molecular FormulaC18H23ClN6OS
Molecular Weight406.94 g/mol
Exact Mass406.13
IUPAC Name1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide;hydrochloride
SMILESCC(C)c1nc2ccc(NC(=O)c3cn(C4CCNCC4)nn3)cc2s1.Cl
InChIInChI=1S/C18H22N6OS.ClH/c1-11(2)18-21-14-4-3-12(9-16(14)26-18)20-17(25)15-10-24(23-22-15)13-5-7-19-8-6-13;/h3-4,9-11,13,19H,5-8H2,1-2H3,(H,20,25);1H
InChIKeyOIZQUZZYSHVKSW-UHFFFAOYSA-N
XLogP3.61
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide
CID 119753621
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119754268
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119703611
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
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
1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119685721
N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119702697
N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119770027
N-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119786724
N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119702447

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide;hydrochloride (CID 119753620) is 1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide;hydrochloride is CC(C)c1nc2ccc(NC(=O)c3cn(C4CCNCC4)nn3)cc2s1.Cl.
What is the InChIKey of 1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide;hydrochloride?
The InChIKey is OIZQUZZYSHVKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS.ClH/c1-11(2)18-21-14-4-3-12(9-16(14)26-18)20-17(25)15-10-24(23-22-15)13-5-7-19-8-6-13;/h3-4,9-11,13,19H,5-8H2,1-2H3,(H,20,25);1H.
What are the key properties of 1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide;hydrochloride?
1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide;hydrochloride has a molecular weight of 406.94 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119753620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).