(E)-3-(2-chlorophenyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)prop-2-enamide

C23H17ClN2OS — CID 43944135

IUPAC(E)-3-(2-chlorophenyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)prop-2-enamide
SMILESC=CCn1/c(=N/C(=O)/C=C/c2ccccc2Cl)sc2c3ccccc3ccc21
InChIInChI=1S/C23H17ClN2OS/c1-2-15-26-20-13-11-16-7-3-5-9-18(16)22(20)28-23(26)25-21(27)14-12-17-8-4-6-10-19(17)24/h2-14H,1,15H2/b14-12+,25-23-
InChIKeyCMSRKJGQSVZTQA-QULUYXLPSA-N
MW404.92 g/mol
LogP5.84
Rot. Bonds4

About (E)-3-(2-chlorophenyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)prop-2-enamide

(E)-3-(2-chlorophenyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)prop-2-enamide (PubChem CID 43944135) has the molecular formula C23H17ClN2OS and a molecular weight of 404.92 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)prop-2-enamide
PubChem CID43944135
Molecular FormulaC23H17ClN2OS
Molecular Weight404.92 g/mol
Exact Mass404.08
IUPAC Name(E)-3-(2-chlorophenyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)prop-2-enamide
SMILESC=CCn1/c(=N/C(=O)/C=C/c2ccccc2Cl)sc2c3ccccc3ccc21
InChIInChI=1S/C23H17ClN2OS/c1-2-15-26-20-13-11-16-7-3-5-9-18(16)22(20)28-23(26)25-21(27)14-12-17-8-4-6-10-19(17)24/h2-14H,1,15H2/b14-12+,25-23-
InChIKeyCMSRKJGQSVZTQA-QULUYXLPSA-N
XLogP5.84
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.92
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(2-chlorophenyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 43943639
2-[2-oxo-2-[(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)amino]ethoxy]-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 43944742
5-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 43943916
(E)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide
CID 42387598
(E)-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide
CID 40885938
5-nitro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)furan-2-carboxamide
CID 2151214
4-piperidin-1-ylsulfonyl-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 43943827
(E)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 7109194
4-(dimethylsulfamoyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 43943845
N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide
CID 3450724
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-3-(4-nitrophenyl)prop-2-enamide
CID 4624489
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide
CID 4071406

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)prop-2-enamide (CID 43944135) is (E)-3-(2-chlorophenyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)prop-2-enamide is C=CCn1/c(=N/C(=O)/C=C/c2ccccc2Cl)sc2c3ccccc3ccc21.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)prop-2-enamide?
The InChIKey is CMSRKJGQSVZTQA-QULUYXLPSA-N. The full InChI is InChI=1S/C23H17ClN2OS/c1-2-15-26-20-13-11-16-7-3-5-9-18(16)22(20)28-23(26)25-21(27)14-12-17-8-4-6-10-19(17)24/h2-14H,1,15H2/b14-12+,25-23-.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)prop-2-enamide has a molecular weight of 404.92 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)prop-2-enamide is sourced from PubChem (CID 43944135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).