N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide

C20H18N2O3S — CID 7152857

IUPACN-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
SMILESC#CCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(OCC)c21
InChIInChI=1S/C20H18N2O3S/c1-3-13-22-19-16(24-4-2)11-8-12-17(19)26-20(22)21-18(23)14-25-15-9-6-5-7-10-15/h1,5-12H,4,13-14H2,2H3/b21-20-
InChIKeyCBDOCPNUSBRHJO-MRCUWXFGSA-N
MW366.44 g/mol
LogP3.24
Rot. Bonds6

About N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide

N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide (PubChem CID 7152857) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
PubChem CID7152857
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
SMILESC#CCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(OCC)c21
InChIInChI=1S/C20H18N2O3S/c1-3-13-22-19-16(24-4-2)11-8-12-17(19)26-20(22)21-18(23)14-25-15-9-6-5-7-10-15/h1,5-12H,4,13-14H2,2H3/b21-20-
InChIKeyCBDOCPNUSBRHJO-MRCUWXFGSA-N
XLogP3.24
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide 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-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide
CID 2151421
N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
CID 43946505
4-benzyl-N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43946342
3-bromo-N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885767
N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-methylphenoxy)acetamide
CID 43945349
N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide
CID 2151420
N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide
CID 7161781
N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
CID 7153193
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 41001557
N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrofuran-2-carboxamide
CID 2151357
3-(benzenesulfonyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7153853
N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
CID 7153408

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The IUPAC name of N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide (CID 7152857) is N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The canonical SMILES for N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide is C#CCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(OCC)c21.
What is the InChIKey of N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The InChIKey is CBDOCPNUSBRHJO-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-3-13-22-19-16(24-4-2)11-8-12-17(19)26-20(22)21-18(23)14-25-15-9-6-5-7-10-15/h1,5-12H,4,13-14H2,2H3/b21-20-.
What are the key properties of N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide has a molecular weight of 366.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide is sourced from PubChem (CID 7152857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).