6-(1,3-benzothiazol-2-yl)-N-ethylcyclohex-3-ene-1-carboxamide

C16H18N2OS — CID 47323856

IUPAC6-(1,3-benzothiazol-2-yl)-N-ethylcyclohex-3-ene-1-carboxamide
SMILESCCNC(=O)C1CC=CCC1c1nc2ccccc2s1
InChIInChI=1S/C16H18N2OS/c1-2-17-15(19)11-7-3-4-8-12(11)16-18-13-9-5-6-10-14(13)20-16/h3-6,9-12H,2,7-8H2,1H3,(H,17,19)
InChIKeyOSCFBHZZANUBFD-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.48
Rot. Bonds3

About 6-(1,3-benzothiazol-2-yl)-N-ethylcyclohex-3-ene-1-carboxamide

6-(1,3-benzothiazol-2-yl)-N-ethylcyclohex-3-ene-1-carboxamide (PubChem CID 47323856) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-2-yl)-N-ethylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name6-(1,3-benzothiazol-2-yl)-N-ethylcyclohex-3-ene-1-carboxamide
PubChem CID47323856
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name6-(1,3-benzothiazol-2-yl)-N-ethylcyclohex-3-ene-1-carboxamide
SMILESCCNC(=O)C1CC=CCC1c1nc2ccccc2s1
InChIInChI=1S/C16H18N2OS/c1-2-17-15(19)11-7-3-4-8-12(11)16-18-13-9-5-6-10-14(13)20-16/h3-6,9-12H,2,7-8H2,1H3,(H,17,19)
InChIKeyOSCFBHZZANUBFD-UHFFFAOYSA-N
XLogP3.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 119627156
(1R,6S)-6-(1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide
CID 51934202
(1S,6S)-6-(1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide
CID 51934200
(1S,6R)-6-(1,3-benzothiazol-2-yl)-N-[2-(methanesulfonamido)ethyl]cyclohex-3-ene-1-carboxamide
CID 37287870
N-(2-amino-2-phenylethyl)-6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 119528072
6-(1,3-benzothiazol-2-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclohex-3-ene-1-carboxamide
CID 71849718
(1S,6R)-6-(1,3-benzothiazol-2-yl)-N-(2-phenylsulfanylethyl)cyclohex-3-ene-1-carboxamide
CID 51934155
6-(1,3-benzothiazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide;dihydrochloride
CID 120947840
6-(1,3-benzothiazol-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 55599479
(1R,6S)-6-(1,3-benzothiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 51728576
6-(1,3-benzothiazol-2-yl)-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohex-3-ene-1-carboxamide
CID 55993204
(1R,6R)-6-(1,3-benzothiazol-2-yl)-N-[[3-(methanesulfonamido)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 93278386

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-2-yl)-N-ethylcyclohex-3-ene-1-carboxamide?
The IUPAC name of 6-(1,3-benzothiazol-2-yl)-N-ethylcyclohex-3-ene-1-carboxamide (CID 47323856) is 6-(1,3-benzothiazol-2-yl)-N-ethylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 6-(1,3-benzothiazol-2-yl)-N-ethylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for 6-(1,3-benzothiazol-2-yl)-N-ethylcyclohex-3-ene-1-carboxamide is CCNC(=O)C1CC=CCC1c1nc2ccccc2s1.
What is the InChIKey of 6-(1,3-benzothiazol-2-yl)-N-ethylcyclohex-3-ene-1-carboxamide?
The InChIKey is OSCFBHZZANUBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-2-17-15(19)11-7-3-4-8-12(11)16-18-13-9-5-6-10-14(13)20-16/h3-6,9-12H,2,7-8H2,1H3,(H,17,19).
What are the key properties of 6-(1,3-benzothiazol-2-yl)-N-ethylcyclohex-3-ene-1-carboxamide?
6-(1,3-benzothiazol-2-yl)-N-ethylcyclohex-3-ene-1-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-2-yl)-N-ethylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 47323856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).