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

C18H22N6OS — CID 119753621

IUPAC1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide
SMILESCC(C)c1nc2ccc(NC(=O)c3cn(C4CCNCC4)nn3)cc2s1
InChIInChI=1S/C18H22N6OS/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)
InChIKeyISXSAOZWLYFYIH-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.19
Rot. Bonds4

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

1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide (PubChem CID 119753621) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide
PubChem CID119753621
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide
SMILESCC(C)c1nc2ccc(NC(=O)c3cn(C4CCNCC4)nn3)cc2s1
InChIInChI=1S/C18H22N6OS/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)
InChIKeyISXSAOZWLYFYIH-UHFFFAOYSA-N
XLogP3.19
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.19
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
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-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
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-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119703611
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-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119718961
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884

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?
The IUPAC name of 1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide (CID 119753621) is 1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide is CC(C)c1nc2ccc(NC(=O)c3cn(C4CCNCC4)nn3)cc2s1.
What is the InChIKey of 1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide?
The InChIKey is ISXSAOZWLYFYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/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).
What are the key properties of 1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide?
1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.19, 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 is sourced from PubChem (CID 119753621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).