2-cyclohexyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide

C20H24N2O3S — CID 43943121

IUPAC2-cyclohexyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide
SMILESC=CCn1/c(=N/C(=O)CC2CCCCC2)sc2cc3c(cc21)OCCO3
InChIInChI=1S/C20H24N2O3S/c1-2-8-22-15-12-16-17(25-10-9-24-16)13-18(15)26-20(22)21-19(23)11-14-6-4-3-5-7-14/h2,12-14H,1,3-11H2/b21-20-
InChIKeyZDHODSMEUSEIIL-MRCUWXFGSA-N
MW372.49 g/mol
LogP4.06
Rot. Bonds4

About 2-cyclohexyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide

2-cyclohexyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide (PubChem CID 43943121) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide
PubChem CID43943121
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-cyclohexyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide
SMILESC=CCn1/c(=N/C(=O)CC2CCCCC2)sc2cc3c(cc21)OCCO3
InChIInChI=1S/C20H24N2O3S/c1-2-8-22-15-12-16-17(25-10-9-24-16)13-18(15)26-20(22)21-19(23)11-14-6-4-3-5-7-14/h2,12-14H,1,3-11H2/b21-20-
InChIKeyZDHODSMEUSEIIL-MRCUWXFGSA-N
XLogP4.06
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43942546
2-cyclopentyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
CID 43978508
ethyl 2-[6-(2-cyclopentylacetyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
CID 43940769
2-naphthalen-2-yloxy-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide
CID 43943137
2,5-dimethyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)furan-3-carboxamide
CID 43943550
2-(3-methylphenoxy)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide
CID 43943140
4-(benzenesulfonyl)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)butanamide
CID 25407015
2,4-dimethyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide
CID 40694648
(Z)-3-(1,3-benzodioxol-5-yl)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)prop-2-enamide
CID 43943104
N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)propanamide
CID 7541179
2-(2,4-dimethylphenyl)-N-(7-prop-2-enyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
CID 41019366
1-(4-methylphenyl)sulfonyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)piperidine-3-carboxamide
CID 16863320

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-cyclohexyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide (CID 43943121) is 2-cyclohexyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide is C=CCn1/c(=N/C(=O)CC2CCCCC2)sc2cc3c(cc21)OCCO3.
What is the InChIKey of 2-cyclohexyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide?
The InChIKey is ZDHODSMEUSEIIL-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-2-8-22-15-12-16-17(25-10-9-24-16)13-18(15)26-20(22)21-19(23)11-14-6-4-3-5-7-14/h2,12-14H,1,3-11H2/b21-20-.
What are the key properties of 2-cyclohexyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide?
2-cyclohexyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide has a molecular weight of 372.49 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 43943121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).