3-[4-(dimethylamino)phenyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide

C16H18N4O2S — CID 71882865

IUPAC3-[4-(dimethylamino)phenyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide
SMILESCN(C)c1ccc(C=CC(=O)NCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H18N4O2S/c1-20(2)13-6-3-12(4-7-13)5-8-14(21)18-11-15(22)19-16-17-9-10-23-16/h3-10H,11H2,1-2H3,(H,18,21)(H,17,19,22)
InChIKeyKXFSTORHNWJKAD-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.98
Rot. Bonds6

About 3-[4-(dimethylamino)phenyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide

3-[4-(dimethylamino)phenyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide (PubChem CID 71882865) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide
PubChem CID71882865
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-[4-(dimethylamino)phenyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide
SMILESCN(C)c1ccc(C=CC(=O)NCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H18N4O2S/c1-20(2)13-6-3-12(4-7-13)5-8-14(21)18-11-15(22)19-16-17-9-10-23-16/h3-10H,11H2,1-2H3,(H,18,21)(H,17,19,22)
InChIKeyKXFSTORHNWJKAD-UHFFFAOYSA-N
XLogP1.98
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[4-(dimethylamino)phenyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]prop-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

4-[(E)-3-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110615421
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(1,3-thiazol-2-yl)penta-1,4-dien-3-one
CID 102312609
N-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide
CID 134062092
3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide
CID 73010677
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
(Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide
CID 92527231
(E)-3-(4-aminophenyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide
CID 113290891
3-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-2,2-dimethylpropanoic acid
CID 115427323
3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 3932279
2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 6468138
(E)-3-(4-nitrophenyl)-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide
CID 17187147
(E)-3-(3,4-dimethoxyphenyl)-N-[[4-methyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]prop-2-enamide
CID 6152989

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide (CID 71882865) is 3-[4-(dimethylamino)phenyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide is CN(C)c1ccc(C=CC(=O)NCC(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide?
The InChIKey is KXFSTORHNWJKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-20(2)13-6-3-12(4-7-13)5-8-14(21)18-11-15(22)19-16-17-9-10-23-16/h3-10H,11H2,1-2H3,(H,18,21)(H,17,19,22).
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide?
3-[4-(dimethylamino)phenyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide has a molecular weight of 330.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 71882865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).