2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide

C18H18N2O3S2 — CID 134030582

IUPAC2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CC1C=CS(=O)(=O)C1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H18N2O3S2/c1-2-9-20(17(21)11-14-8-10-25(22,23)13-14)18-19-16(12-24-18)15-6-4-3-5-7-15/h2-8,10,12,14H,1,9,11,13H2
InChIKeyJMETXGBZGVAQLC-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.28
Rot. Bonds6

About 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide

2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide (PubChem CID 134030582) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
PubChem CID134030582
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CC1C=CS(=O)(=O)C1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H18N2O3S2/c1-2-9-20(17(21)11-14-8-10-25(22,23)13-14)18-19-16(12-24-18)15-6-4-3-5-7-15/h2-8,10,12,14H,1,9,11,13H2
InChIKeyJMETXGBZGVAQLC-UHFFFAOYSA-N
XLogP3.28
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675968
(1R,2R,4S)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98180033
2-(2-methoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 8840087
2-(4-methoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 2675972
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethyl] 3-hydroxybenzoate
CID 7483824
2-(1-phenylpyrazol-4-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 31842307
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675971
2-[(2-chlorophenyl)methoxy]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 55770494
(2R)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26706020
3-(phenylcarbamoylamino)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide
CID 55340540
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide
CID 24594408
3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 8840086

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide (CID 134030582) is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide is C=CCN(C(=O)CC1C=CS(=O)(=O)C1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide?
The InChIKey is JMETXGBZGVAQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c1-2-9-20(17(21)11-14-8-10-25(22,23)13-14)18-19-16(12-24-18)15-6-4-3-5-7-15/h2-8,10,12,14H,1,9,11,13H2.
What are the key properties of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide?
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide has a molecular weight of 374.49 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 134030582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).