N-(1,3-benzothiazol-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyltriazole-4-carboxamide

C19H23N5OS — CID 56914084

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyltriazole-4-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1cn(CC2CCCCC2)nn1
InChIInChI=1S/C19H23N5OS/c1-23(13-18-20-15-9-5-6-10-17(15)26-18)19(25)16-12-24(22-21-16)11-14-7-3-2-4-8-14/h5-6,9-10,12,14H,2-4,7-8,11,13H2,1H3
InChIKeyVCDUBPFDZVDJCI-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.74
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyltriazole-4-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyltriazole-4-carboxamide (PubChem CID 56914084) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyltriazole-4-carboxamide
PubChem CID56914084
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyltriazole-4-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1cn(CC2CCCCC2)nn1
InChIInChI=1S/C19H23N5OS/c1-23(13-18-20-15-9-5-6-10-17(15)26-18)19(25)16-12-24(22-21-16)11-14-7-3-2-4-8-14/h5-6,9-10,12,14H,2-4,7-8,11,13H2,1H3
InChIKeyVCDUBPFDZVDJCI-UHFFFAOYSA-N
XLogP3.74
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70744158
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(cyclohexylmethyl)triazol-4-yl]methanone
CID 42191605
1-(cyclohexylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltriazole-4-carboxamide
CID 56716937
N-methyl-1-[[(3S)-piperidin-3-yl]methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)triazole-4-carboxamide
CID 95119667
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60666090
N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
CID 18146723
1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide
CID 95728030
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 55143623
(3S)-1-acetyl-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 9394280
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
CID 75445228
2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64824365
N-(1,3-benzothiazol-2-ylmethyl)-3-[cyclohexyl(methyl)sulfamoyl]-N-methylbenzamide
CID 17411471

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyltriazole-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyltriazole-4-carboxamide (CID 56914084) is N-(1,3-benzothiazol-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyltriazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyltriazole-4-carboxamide is CN(Cc1nc2ccccc2s1)C(=O)c1cn(CC2CCCCC2)nn1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyltriazole-4-carboxamide?
The InChIKey is VCDUBPFDZVDJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-23(13-18-20-15-9-5-6-10-17(15)26-18)19(25)16-12-24(22-21-16)11-14-7-3-2-4-8-14/h5-6,9-10,12,14H,2-4,7-8,11,13H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyltriazole-4-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyltriazole-4-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 56914084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).