N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

C19H24N6OS — CID 70744158

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1cn(CCC2CCCCN2)nn1
InChIInChI=1S/C19H24N6OS/c1-24(13-18-21-15-7-2-3-8-17(15)27-18)19(26)16-12-25(23-22-16)11-9-14-6-4-5-10-20-14/h2-3,7-8,12,14,20H,4-6,9-11,13H2,1H3
InChIKeyKWDMOBKCRYCHPE-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.69
Rot. Bonds6

About N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (PubChem CID 70744158) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
PubChem CID70744158
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1cn(CCC2CCCCN2)nn1
InChIInChI=1S/C19H24N6OS/c1-24(13-18-21-15-7-2-3-8-17(15)27-18)19(26)16-12-25(23-22-16)11-9-14-6-4-5-10-20-14/h2-3,7-8,12,14,20H,4-6,9-11,13H2,1H3
InChIKeyKWDMOBKCRYCHPE-UHFFFAOYSA-N
XLogP2.69
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyltriazole-4-carboxamide
CID 56914084
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70760529
(2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide
CID 103813341
(2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide;dihydrochloride
CID 119835338
N-(1,3-benzothiazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635789
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60666090
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70755345
N-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N,5-dimethylthiophene-2-carboxamide
CID 9393068
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 55143623
2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 61370741
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-cyclohexylethyl)-N-methyltriazole-4-carboxamide
CID 25449527
(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide
CID 103808102

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (CID 70744158) is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is CN(Cc1nc2ccccc2s1)C(=O)c1cn(CCC2CCCCN2)nn1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The InChIKey is KWDMOBKCRYCHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-24(13-18-21-15-7-2-3-8-17(15)27-18)19(26)16-12-25(23-22-16)11-9-14-6-4-5-10-20-14/h2-3,7-8,12,14,20H,4-6,9-11,13H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 70744158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).