N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C17H21ClN6O2S — CID 119669334

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOc1ccc2nc(NC(=O)c3nnn(C4CCNCC4)c3C)sc2c1.Cl
InChIInChI=1S/C17H20N6O2S.ClH/c1-10-15(21-22-23(10)11-5-7-18-8-6-11)16(24)20-17-19-13-4-3-12(25-2)9-14(13)26-17;/h3-4,9,11,18H,5-8H2,1-2H3,(H,19,20,24);1H
InChIKeyUNOJUVWDLDPDCI-UHFFFAOYSA-N
MW408.92 g/mol
LogP2.80
Rot. Bonds4

About N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119669334) has the molecular formula C17H21ClN6O2S and a molecular weight of 408.92 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119669334
Molecular FormulaC17H21ClN6O2S
Molecular Weight408.92 g/mol
Exact Mass408.11
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOc1ccc2nc(NC(=O)c3nnn(C4CCNCC4)c3C)sc2c1.Cl
InChIInChI=1S/C17H20N6O2S.ClH/c1-10-15(21-22-23(10)11-5-7-18-8-6-11)16(24)20-17-19-13-4-3-12(25-2)9-14(13)26-17;/h3-4,9,11,18H,5-8H2,1-2H3,(H,19,20,24);1H
InChIKeyUNOJUVWDLDPDCI-UHFFFAOYSA-N
XLogP2.80
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.92
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119778177
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23910638
N-[1-(2,5-dimethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119691786
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673371
N-[2-(3,5-dimethoxyphenoxy)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822595
N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119728769
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669352
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119679218
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(3-fluoro-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705669

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119669334) is N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is COc1ccc2nc(NC(=O)c3nnn(C4CCNCC4)c3C)sc2c1.Cl.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is UNOJUVWDLDPDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S.ClH/c1-10-15(21-22-23(10)11-5-7-18-8-6-11)16(24)20-17-19-13-4-3-12(25-2)9-14(13)26-17;/h3-4,9,11,18H,5-8H2,1-2H3,(H,19,20,24);1H.
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 408.92 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119669334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).