(E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide

C19H18N2O2S — CID 2329553

IUPAC(E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide
SMILESCCOc1ccc2c(c1)s/c(=N\C(=O)/C=C/c1ccccc1)n2C
InChIInChI=1S/C19H18N2O2S/c1-3-23-15-10-11-16-17(13-15)24-19(21(16)2)20-18(22)12-9-14-7-5-4-6-8-14/h4-13H,3H2,1-2H3/b12-9+,20-19-
InChIKeyAWPCWHAVQVYGMD-KMEVZCFNSA-N
MW338.43 g/mol
LogP3.78
Rot. Bonds4

About (E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide

(E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide (PubChem CID 2329553) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is (E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide
PubChem CID2329553
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name(E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide
SMILESCCOc1ccc2c(c1)s/c(=N\C(=O)/C=C/c1ccccc1)n2C
InChIInChI=1S/C19H18N2O2S/c1-3-23-15-10-11-16-17(13-15)24-19(21(16)2)20-18(22)12-9-14-7-5-4-6-8-14/h4-13H,3H2,1-2H3/b12-9+,20-19-
InChIKeyAWPCWHAVQVYGMD-KMEVZCFNSA-N
XLogP3.78
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-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

N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide
CID 40694887
N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 3458900
3-(2-chlorophenyl)-N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]prop-2-enamide
CID 3293378
(E)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 43984083
2-acetylsulfonyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 3442346
ethyl 2-[5,6-dimethyl-2-(3-phenylprop-2-enoylimino)-1,3-benzothiazol-3-yl]acetate
CID 74746923
(E)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 7109194
ethyl 3-(2-ethoxy-2-oxoethyl)-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate
CID 40927768
N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-3-phenylprop-2-enamide
CID 74711526
(Z)-3-(3,4-dimethoxyphenyl)-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)prop-2-enamide
CID 43945249
(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine
CID 54058185
N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-3-phenylprop-2-enamide
CID 74744558

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide (CID 2329553) is (E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide is CCOc1ccc2c(c1)s/c(=N\C(=O)/C=C/c1ccccc1)n2C.
What is the InChIKey of (E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide?
The InChIKey is AWPCWHAVQVYGMD-KMEVZCFNSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-3-23-15-10-11-16-17(13-15)24-19(21(16)2)20-18(22)12-9-14-7-5-4-6-8-14/h4-13H,3H2,1-2H3/b12-9+,20-19-.
What are the key properties of (E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide?
(E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide has a molecular weight of 338.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide is sourced from PubChem (CID 2329553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).