(2Z)-1-(furan-2-yl)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)ethanone

C18H13NO2S — CID 58793489

IUPAC(2Z)-1-(furan-2-yl)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)ethanone
SMILESCN1/C(=C/C(=O)c2ccco2)Sc2ccc3ccccc3c21
InChIInChI=1S/C18H13NO2S/c1-19-17(11-14(20)15-7-4-10-21-15)22-16-9-8-12-5-2-3-6-13(12)18(16)19/h2-11H,1H3/b17-11-
InChIKeyZVPUDGWBGFCMCR-BOPFTXTBSA-N
MW307.37 g/mol
LogP4.70
Rot. Bonds2

About (2Z)-1-(furan-2-yl)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)ethanone

(2Z)-1-(furan-2-yl)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)ethanone (PubChem CID 58793489) has the molecular formula C18H13NO2S and a molecular weight of 307.37 g/mol. Its IUPAC name is (2Z)-1-(furan-2-yl)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)ethanone.

Molecular Properties

Compound Name(2Z)-1-(furan-2-yl)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)ethanone
PubChem CID58793489
Molecular FormulaC18H13NO2S
Molecular Weight307.37 g/mol
Exact Mass307.07
IUPAC Name(2Z)-1-(furan-2-yl)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)ethanone
SMILESCN1/C(=C/C(=O)c2ccco2)Sc2ccc3ccccc3c21
InChIInChI=1S/C18H13NO2S/c1-19-17(11-14(20)15-7-4-10-21-15)22-16-9-8-12-5-2-3-6-13(12)18(16)19/h2-11H,1H3/b17-11-
InChIKeyZVPUDGWBGFCMCR-BOPFTXTBSA-N
XLogP4.70
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1E)-1-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)butan-2-one
CID 759310
N-methyl-2-[3-[(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)methyl]pent-2-enylsulfanyl]naphthalen-1-amine
CID 142898207
1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 622375
2-(3-methyl-5-phenyl-1,3-benzothiazol-2-ylidene)-1-naphthalen-1-ylethanone
CID 141149436
(2Z)-1-methyl-2-[(Z)-3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole
CID 6335732
ethane;1-methyl-2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]benzo[e][1,3]benzothiazole
CID 91108498
(5Z)-3-methyl-5-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 10337585
N'-(2-hydroxynaphthalene-1-carbonyl)furan-2-carbohydrazide
CID 59999777
2-[(5E)-5-[(5E)-3-methyl-5-[(2Z)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 59958429
(Z)-1-(furan-2-yl)-3-methylsulfanyl-4-phenylbut-2-en-1-one
CID 10879770
N'-(furan-2-carbonyl)benzo[e][1]benzofuran-2-carbohydrazide
CID 3761855
(2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one
CID 47022586

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(furan-2-yl)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)ethanone?
The IUPAC name of (2Z)-1-(furan-2-yl)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)ethanone (CID 58793489) is (2Z)-1-(furan-2-yl)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)ethanone.
What is the SMILES notation for (2Z)-1-(furan-2-yl)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)ethanone?
The canonical SMILES for (2Z)-1-(furan-2-yl)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)ethanone is CN1/C(=C/C(=O)c2ccco2)Sc2ccc3ccccc3c21.
What is the InChIKey of (2Z)-1-(furan-2-yl)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)ethanone?
The InChIKey is ZVPUDGWBGFCMCR-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H13NO2S/c1-19-17(11-14(20)15-7-4-10-21-15)22-16-9-8-12-5-2-3-6-13(12)18(16)19/h2-11H,1H3/b17-11-.
What are the key properties of (2Z)-1-(furan-2-yl)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)ethanone?
(2Z)-1-(furan-2-yl)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)ethanone has a molecular weight of 307.37 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(furan-2-yl)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)ethanone is sourced from PubChem (CID 58793489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).