N-(6-cyano-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide

C19H19N5OS — CID 162380401

IUPACN-(6-cyano-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide
SMILESN#Cc1ccc2nc(N(Cc3cnc[nH]3)C(=O)C3CCCCC3)sc2c1
InChIInChI=1S/C19H19N5OS/c20-9-13-6-7-16-17(8-13)26-19(23-16)24(11-15-10-21-12-22-15)18(25)14-4-2-1-3-5-14/h6-8,10,12,14H,1-5,11H2,(H,21,22)
InChIKeyGKNWUFAPTFISLB-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.00
Rot. Bonds4

About N-(6-cyano-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide

N-(6-cyano-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide (PubChem CID 162380401) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(6-cyano-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(6-cyano-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide
PubChem CID162380401
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC NameN-(6-cyano-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide
SMILESN#Cc1ccc2nc(N(Cc3cnc[nH]3)C(=O)C3CCCCC3)sc2c1
InChIInChI=1S/C19H19N5OS/c20-9-13-6-7-16-17(8-13)26-19(23-16)24(11-15-10-21-12-22-15)18(25)14-4-2-1-3-5-14/h6-8,10,12,14H,1-5,11H2,(H,21,22)
InChIKeyGKNWUFAPTFISLB-UHFFFAOYSA-N
XLogP4.00
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide
CID 162380406
4-cyano-N-(1H-imidazol-5-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 162380319
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 43965989
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 43968066
1-(6-cyano-1,3-benzothiazol-2-yl)-1-(piperidin-4-ylmethyl)urea
CID 154395757
N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 43967725
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 43966229
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
CID 18582243
N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride
CID 44947217
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-[(2-methyl-3-pyridinyl)methyl]cyclohexanecarboxamide
CID 162380099
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 44949115
N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride
CID 44928795

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-(6-cyano-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide (CID 162380401) is N-(6-cyano-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(6-cyano-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(6-cyano-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide is N#Cc1ccc2nc(N(Cc3cnc[nH]3)C(=O)C3CCCCC3)sc2c1.
What is the InChIKey of N-(6-cyano-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide?
The InChIKey is GKNWUFAPTFISLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c20-9-13-6-7-16-17(8-13)26-19(23-16)24(11-15-10-21-12-22-15)18(25)14-4-2-1-3-5-14/h6-8,10,12,14H,1-5,11H2,(H,21,22).
What are the key properties of N-(6-cyano-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide?
N-(6-cyano-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide has a molecular weight of 365.46 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 162380401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).