(E)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide

C14H14N2O3S — CID 897895

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2nccs2)cc1OC
InChIInChI=1S/C14H14N2O3S/c1-18-11-5-3-10(9-12(11)19-2)4-6-13(17)16-14-15-7-8-20-14/h3-9H,1-2H3,(H,15,16,17)/b6-4+
InChIKeySMRXKMFZQYOXSX-GQCTYLIASA-N
MW290.34 g/mol
LogP2.81
Rot. Bonds5

About (E)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 897895) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID897895
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2nccs2)cc1OC
InChIInChI=1S/C14H14N2O3S/c1-18-11-5-3-10(9-12(11)19-2)4-6-13(17)16-14-15-7-8-20-14/h3-9H,1-2H3,(H,15,16,17)/b6-4+
InChIKeySMRXKMFZQYOXSX-GQCTYLIASA-N
XLogP2.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-Methoxyphenyl)ethyl]-3-thiazol-2-yl-thiourea
CID 3001166
8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 1478778
4-(2-methoxyphenoxy)-N-1,3-thiazol-2-ylbutanamide
CID 1631626
3-(3,4-dimethoxyphenyl)-N-(thiazol-2-yl)propanamide
CID 2118575
2-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2514833
(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2714150
3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 3707305
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 4882898
5-{3-Ethoxy-4-[2-(4-morpholinyl)ethoxy]benzylidene}-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 5291668
3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721807
(5Z)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10044126
(3,4-Dimethoxy-benzyl)-thiazol-2-yl-amine
CID 592210

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 897895) is (E)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2nccs2)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is SMRXKMFZQYOXSX-GQCTYLIASA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-18-11-5-3-10(9-12(11)19-2)4-6-13(17)16-14-15-7-8-20-14/h3-9H,1-2H3,(H,15,16,17)/b6-4+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 290.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 897895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).