(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide

C14H16N2O3S — CID 47099517

IUPAC(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC2=NCCS2)c(OC)c1
InChIInChI=1S/C14H16N2O3S/c1-18-11-5-3-10(12(9-11)19-2)4-6-13(17)16-14-15-7-8-20-14/h3-6,9H,7-8H2,1-2H3,(H,15,16,17)/b6-4+
InChIKeyAPLORVRHBLLMLD-GQCTYLIASA-N
MW292.36 g/mol
LogP1.94
Rot. Bonds4

About (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide

(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 47099517) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
PubChem CID47099517
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC2=NCCS2)c(OC)c1
InChIInChI=1S/C14H16N2O3S/c1-18-11-5-3-10(12(9-11)19-2)4-6-13(17)16-14-15-7-8-20-14/h3-6,9H,7-8H2,1-2H3,(H,15,16,17)/b6-4+
InChIKeyAPLORVRHBLLMLD-GQCTYLIASA-N
XLogP1.94
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.94
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide (CID 47099517) is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NC2=NCCS2)c(OC)c1.
What is the InChIKey of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is APLORVRHBLLMLD-GQCTYLIASA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-18-11-5-3-10(12(9-11)19-2)4-6-13(17)16-14-15-7-8-20-14/h3-6,9H,7-8H2,1-2H3,(H,15,16,17)/b6-4+.
What are the key properties of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 292.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 47099517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).