3-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide

C13H10N2O3S — CID 692713

IUPAC3-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)OCO2)Nc1nccs1
InChIInChI=1S/C13H10N2O3S/c16-12(15-13-14-5-6-19-13)4-2-9-1-3-10-11(7-9)18-8-17-10/h1-7H,8H2,(H,14,15,16)
InChIKeyMROPJCZMQSZJOR-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.52
Rot. Bonds3

About 3-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide

3-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 692713) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID692713
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)OCO2)Nc1nccs1
InChIInChI=1S/C13H10N2O3S/c16-12(15-13-14-5-6-19-13)4-2-9-1-3-10-11(7-9)18-8-17-10/h1-7H,8H2,(H,14,15,16)
InChIKeyMROPJCZMQSZJOR-UHFFFAOYSA-N
XLogP2.52
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)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

N-(1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 669593
8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 1478778
3-(3,4-dimethoxyphenyl)-N-(thiazol-2-yl)propanamide
CID 2118575
(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2714150
(E)-3-(1,3-benzodioxol-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 797725
(Z)-5-(3,4-dimethoxybenzylidene)-2-imino-3-(thiazol-2-yl)thiazolidin-4-one
CID 1416668
3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acrylamide
CID 844245
(2E)-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 824523
(2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 135783298
(2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 135783302
SphK1&2-IN-1
CID 897895
(E)-N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 2289366

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 692713) is 3-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide is O=C(C=Cc1ccc2c(c1)OCO2)Nc1nccs1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is MROPJCZMQSZJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c16-12(15-13-14-5-6-19-13)4-2-9-1-3-10-11(7-9)18-8-17-10/h1-7H,8H2,(H,14,15,16).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
3-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 274.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 692713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).