N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide

C17H16N2O3S — CID 5049714

IUPACN-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2ccco2)sc2cc(OCC)ccc21
InChIInChI=1S/C17H16N2O3S/c1-3-9-19-13-8-7-12(21-4-2)11-15(13)23-17(19)18-16(20)14-6-5-10-22-14/h3,5-8,10-11H,1,4,9H2,2H3/b18-17-
InChIKeySYPDNFFJOBFHOU-ZCXUNETKSA-N
MW328.39 g/mol
LogP3.62
Rot. Bonds5

About N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide

N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide (PubChem CID 5049714) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
PubChem CID5049714
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2ccco2)sc2cc(OCC)ccc21
InChIInChI=1S/C17H16N2O3S/c1-3-9-19-13-8-7-12(21-4-2)11-15(13)23-17(19)18-16(20)14-6-5-10-22-14/h3,5-8,10-11H,1,4,9H2,2H3/b18-17-
InChIKeySYPDNFFJOBFHOU-ZCXUNETKSA-N
XLogP3.62
TPSA56.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.62
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

methyl 2-[6-ethoxy-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate
CID 3634320
4-benzyl-N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5091418
N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 40508521
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 4295262
N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 3351669
N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-methylbenzamide
CID 5081588
4-butoxy-N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3645274
N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide
CID 4121901
N-(6-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-ethoxybenzamide
CID 4613615
N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide
CID 7523800
4-ethoxy-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4123905
2-(3,4-dimethylphenyl)-N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43944809

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The IUPAC name of N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide (CID 5049714) is N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide.
What is the SMILES notation for N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The canonical SMILES for N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide is C=CCn1/c(=N/C(=O)c2ccco2)sc2cc(OCC)ccc21.
What is the InChIKey of N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The InChIKey is SYPDNFFJOBFHOU-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-3-9-19-13-8-7-12(21-4-2)11-15(13)23-17(19)18-16(20)14-6-5-10-22-14/h3,5-8,10-11H,1,4,9H2,2H3/b18-17-.
What are the key properties of N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide is sourced from PubChem (CID 5049714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).