N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide

C19H20N2O2S2 — CID 3457769

IUPACN-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide
SMILESCCOc1cccc2s/c(=N\C(=O)CCSc3ccccc3)n(C)c12
InChIInChI=1S/C19H20N2O2S2/c1-3-23-15-10-7-11-16-18(15)21(2)19(25-16)20-17(22)12-13-24-14-8-5-4-6-9-14/h4-11H,3,12-13H2,1-2H3/b20-19-
InChIKeyKGVSVZHSFBZTES-VXPUYCOJSA-N
MW372.52 g/mol
LogP4.25
Rot. Bonds6

About N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide

N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide (PubChem CID 3457769) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide
PubChem CID3457769
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC NameN-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide
SMILESCCOc1cccc2s/c(=N\C(=O)CCSc3ccccc3)n(C)c12
InChIInChI=1S/C19H20N2O2S2/c1-3-23-15-10-7-11-16-18(15)21(2)19(25-16)20-17(22)12-13-24-14-8-5-4-6-9-14/h4-11H,3,12-13H2,1-2H3/b20-19-
InChIKeyKGVSVZHSFBZTES-VXPUYCOJSA-N
XLogP4.25
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide 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-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfonylpropanamide
CID 7519885
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide
CID 40694900
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
CID 5185543
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4,6-trimethylphenyl)acetamide
CID 41343011
3-phenylsulfanyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 41047842
3-(benzenesulfonyl)-N-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)propanamide
CID 41001584
3-(benzenesulfonyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7153853
N-[4-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide
CID 7153310
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide
CID 3416076
(NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16936970
3-(4-methylphenyl)sulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 40951729
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide
CID 4157826

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide (CID 3457769) is N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide is CCOc1cccc2s/c(=N\C(=O)CCSc3ccccc3)n(C)c12.
What is the InChIKey of N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide?
The InChIKey is KGVSVZHSFBZTES-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c1-3-23-15-10-7-11-16-18(15)21(2)19(25-16)20-17(22)12-13-24-14-8-5-4-6-9-14/h4-11H,3,12-13H2,1-2H3/b20-19-.
What are the key properties of N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide?
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide has a molecular weight of 372.52 g/mol, XLogP of 4.25, 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-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 3457769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).