N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide

C19H17FN2O2S — CID 43943697

IUPACN-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide
SMILESC=CCn1/c(=N/C(=O)c2cccc(F)c2)sc2cccc(OCC)c21
InChIInChI=1S/C19H17FN2O2S/c1-3-11-22-17-15(24-4-2)9-6-10-16(17)25-19(22)21-18(23)13-7-5-8-14(20)12-13/h3,5-10,12H,1,4,11H2,2H3/b21-19-
InChIKeySXCNWTABZDPODN-VZCXRCSSSA-N
MW356.42 g/mol
LogP4.17
Rot. Bonds5

About N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide

N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide (PubChem CID 43943697) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide
PubChem CID43943697
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC NameN-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide
SMILESC=CCn1/c(=N/C(=O)c2cccc(F)c2)sc2cccc(OCC)c21
InChIInChI=1S/C19H17FN2O2S/c1-3-11-22-17-15(24-4-2)9-6-10-16(17)25-19(22)21-18(23)13-7-5-8-14(20)12-13/h3,5-10,12H,1,4,11H2,2H3/b21-19-
InChIKeySXCNWTABZDPODN-VZCXRCSSSA-N
XLogP4.17
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-triethoxy-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43944497
N-(4-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
CID 2151178
4-[bis(2-methylpropyl)sulfamoyl]-N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43944011
4-butoxy-N-(4-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43943813
N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 43944651
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide
CID 5077933
4-[benzyl(methyl)sulfamoyl]-N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43944555
4-ethoxy-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4123905
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-methylbenzamide
CID 3657348
3-bromo-N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885767
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43944688
N-(5-chloro-4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxybenzamide
CID 43944491

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide?
The IUPAC name of N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide (CID 43943697) is N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide.
What is the SMILES notation for N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide?
The canonical SMILES for N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide is C=CCn1/c(=N/C(=O)c2cccc(F)c2)sc2cccc(OCC)c21.
What is the InChIKey of N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide?
The InChIKey is SXCNWTABZDPODN-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-3-11-22-17-15(24-4-2)9-6-10-16(17)25-19(22)21-18(23)13-7-5-8-14(20)12-13/h3,5-10,12H,1,4,11H2,2H3/b21-19-.
What are the key properties of N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide?
N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide has a molecular weight of 356.42 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide is sourced from PubChem (CID 43943697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).