1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide

C20H26N6OS — CID 42376514

IUPAC1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cn(C2CCN(Cc3nc4ccccc4s3)CC2)nn1
InChIInChI=1S/C20H26N6OS/c1-14(2)11-21-20(27)17-12-26(24-23-17)15-7-9-25(10-8-15)13-19-22-16-5-3-4-6-18(16)28-19/h3-6,12,14-15H,7-11,13H2,1-2H3,(H,21,27)
InChIKeyNJSRYILHEVXLLA-UHFFFAOYSA-N
MW398.54 g/mol
LogP3.11
Rot. Bonds6

About 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide

1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide (PubChem CID 42376514) has the molecular formula C20H26N6OS and a molecular weight of 398.54 g/mol. Its IUPAC name is 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
PubChem CID42376514
Molecular FormulaC20H26N6OS
Molecular Weight398.54 g/mol
Exact Mass398.19
IUPAC Name1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cn(C2CCN(Cc3nc4ccccc4s3)CC2)nn1
InChIInChI=1S/C20H26N6OS/c1-14(2)11-21-20(27)17-12-26(24-23-17)15-7-9-25(10-8-15)13-19-22-16-5-3-4-6-18(16)28-19/h3-6,12,14-15H,7-11,13H2,1-2H3,(H,21,27)
InChIKeyNJSRYILHEVXLLA-UHFFFAOYSA-N
XLogP3.11
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.54
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119686694
1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 26341086
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 9391063
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119692171
1-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 26326480
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
1-(1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxylic acid
CID 18526453
1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide
CID 42238606
N-[2-(dimethylamino)ethyl]-1-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]triazole-4-carboxamide
CID 25364911
1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone
CID 9238411
methyl 4-[[4-[4-(propan-2-ylcarbamoyl)triazol-1-yl]piperidin-1-yl]methyl]benzoate
CID 26352779
1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 42348711

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
The IUPAC name of 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide (CID 42376514) is 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
The canonical SMILES for 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide is CC(C)CNC(=O)c1cn(C2CCN(Cc3nc4ccccc4s3)CC2)nn1.
What is the InChIKey of 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
The InChIKey is NJSRYILHEVXLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6OS/c1-14(2)11-21-20(27)17-12-26(24-23-17)15-7-9-25(10-8-15)13-19-22-16-5-3-4-6-18(16)28-19/h3-6,12,14-15H,7-11,13H2,1-2H3,(H,21,27).
What are the key properties of 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide has a molecular weight of 398.54 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 42376514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).