N-[4-[(Z)-2-cyano-3-(3-methylthiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-ethylacetamide

C16H15N3O2S2 — CID 47046383

IUPACN-[4-[(Z)-2-cyano-3-(3-methylthiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(/C=C(/C#N)C(=O)c2sccc2C)cs1
InChIInChI=1S/C16H15N3O2S2/c1-4-19(11(3)20)16-18-13(9-23-16)7-12(8-17)14(21)15-10(2)5-6-22-15/h5-7,9H,4H2,1-3H3/b12-7-
InChIKeyWICXSNZLCVGGLD-GHXNOFRVSA-N
MW345.45 g/mol
LogP3.68
Rot. Bonds5

About N-[4-[(Z)-2-cyano-3-(3-methylthiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-[(Z)-2-cyano-3-(3-methylthiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 47046383) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[4-[(Z)-2-cyano-3-(3-methylthiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[(Z)-2-cyano-3-(3-methylthiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID47046383
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-[4-[(Z)-2-cyano-3-(3-methylthiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(/C=C(/C#N)C(=O)c2sccc2C)cs1
InChIInChI=1S/C16H15N3O2S2/c1-4-19(11(3)20)16-18-13(9-23-16)7-12(8-17)14(21)15-10(2)5-6-22-15/h5-7,9H,4H2,1-3H3/b12-7-
InChIKeyWICXSNZLCVGGLD-GHXNOFRVSA-N
XLogP3.68
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[(Z)-2-cyano-3-(3-methylthiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-ethylacetamide 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-methoxyethyl (E)-3-[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]-2-cyanoprop-2-enoate
CID 46663311
butyl (E)-3-[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]-2-cyanoprop-2-enoate
CID 46663317
N-[4-[(E)-2-cyano-3-(1-ethyl-2-phenylindol-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 30588951
N-[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 30589060
(E)-3-[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 30589158
N-ethyl-N-[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide
CID 46663273
N-ethyl-N-[4-[(E)-3-oxo-3-(1,3-thiazol-2-yl)prop-1-enyl]-1,3-thiazol-2-yl]acetamide
CID 75407242
N-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide
CID 46663321
ethyl (Z)-3-[2-(N-acetyl-2,6-diethylanilino)-1,3-thiazol-4-yl]-2-cyanoprop-2-enoate
CID 47013143
2-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylidene]-N,N'-dibenzylpropanediamide
CID 46671151
N-[4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 9366640
(E)-3-(3-chlorophenyl)-2-(3-methylthiophene-2-carbonyl)prop-2-enenitrile
CID 47241717

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-2-cyano-3-(3-methylthiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[(Z)-2-cyano-3-(3-methylthiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 47046383) is N-[4-[(Z)-2-cyano-3-(3-methylthiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[(Z)-2-cyano-3-(3-methylthiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[(Z)-2-cyano-3-(3-methylthiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(/C=C(/C#N)C(=O)c2sccc2C)cs1.
What is the InChIKey of N-[4-[(Z)-2-cyano-3-(3-methylthiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is WICXSNZLCVGGLD-GHXNOFRVSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-4-19(11(3)20)16-18-13(9-23-16)7-12(8-17)14(21)15-10(2)5-6-22-15/h5-7,9H,4H2,1-3H3/b12-7-.
What are the key properties of N-[4-[(Z)-2-cyano-3-(3-methylthiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[(Z)-2-cyano-3-(3-methylthiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 345.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-2-cyano-3-(3-methylthiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 47046383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).