(E)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-diphenylprop-2-enamide

C23H18N2O2S — CID 19212134

IUPAC(E)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-diphenylprop-2-enamide
SMILESCOc1cccc2sc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)nc12
InChIInChI=1S/C23H18N2O2S/c1-27-19-13-8-14-20-21(19)24-23(28-20)25-22(26)18(17-11-6-3-7-12-17)15-16-9-4-2-5-10-16/h2-15H,1H3,(H,24,25,26)/b18-15+
InChIKeyTZTJUVJHSKNRRX-OBGWFSINSA-N
MW386.48 g/mol
LogP5.48
Rot. Bonds5

About (E)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-diphenylprop-2-enamide

(E)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-diphenylprop-2-enamide (PubChem CID 19212134) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is (E)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-diphenylprop-2-enamide
PubChem CID19212134
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC Name(E)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-diphenylprop-2-enamide
SMILESCOc1cccc2sc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)nc12
InChIInChI=1S/C23H18N2O2S/c1-27-19-13-8-14-20-21(19)24-23(28-20)25-22(26)18(17-11-6-3-7-12-17)15-16-9-4-2-5-10-16/h2-15H,1H3,(H,24,25,26)/b18-15+
InChIKeyTZTJUVJHSKNRRX-OBGWFSINSA-N
XLogP5.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871813
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
(E)-3-(3,4-dimethoxyphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-phenylprop-2-enamide
CID 108767831
1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
CID 110491929
4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952140
(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide
CID 890524
2,2,2-trifluoroethyl N-(4-methoxy-1,3-benzothiazol-2-yl)carbamate
CID 52908161
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952233
N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide
CID 5085648
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide
CID 78797294

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-diphenylprop-2-enamide (CID 19212134) is (E)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-diphenylprop-2-enamide is COc1cccc2sc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)nc12.
What is the InChIKey of (E)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-diphenylprop-2-enamide?
The InChIKey is TZTJUVJHSKNRRX-OBGWFSINSA-N. The full InChI is InChI=1S/C23H18N2O2S/c1-27-19-13-8-14-20-21(19)24-23(28-20)25-22(26)18(17-11-6-3-7-12-17)15-16-9-4-2-5-10-16/h2-15H,1H3,(H,24,25,26)/b18-15+.
What are the key properties of (E)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-diphenylprop-2-enamide?
(E)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-diphenylprop-2-enamide has a molecular weight of 386.48 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 19212134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).