(Z)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

C18H20N2O3S — CID 97464341

IUPAC(Z)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCCN(Cc1cccc2c1OCCO2)C(=O)/C=C\c1csc(C)n1
InChIInChI=1S/C18H20N2O3S/c1-3-20(17(21)8-7-15-12-24-13(2)19-15)11-14-5-4-6-16-18(14)23-10-9-22-16/h4-8,12H,3,9-11H2,1-2H3/b8-7-
InChIKeyPRUJPAITXGSOCA-FPLPWBNLSA-N
MW344.44 g/mol
LogP3.28
Rot. Bonds5

About (Z)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

(Z)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 97464341) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (Z)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
PubChem CID97464341
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(Z)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCCN(Cc1cccc2c1OCCO2)C(=O)/C=C\c1csc(C)n1
InChIInChI=1S/C18H20N2O3S/c1-3-20(17(21)8-7-15-12-24-13(2)19-15)11-14-5-4-6-16-18(14)23-10-9-22-16/h4-8,12H,3,9-11H2,1-2H3/b8-7-
InChIKeyPRUJPAITXGSOCA-FPLPWBNLSA-N
XLogP3.28
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
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 (Z)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (CID 97464341) is (Z)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is CCN(Cc1cccc2c1OCCO2)C(=O)/C=C\c1csc(C)n1.
What is the InChIKey of (Z)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is PRUJPAITXGSOCA-FPLPWBNLSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-3-20(17(21)8-7-15-12-24-13(2)19-15)11-14-5-4-6-16-18(14)23-10-9-22-16/h4-8,12H,3,9-11H2,1-2H3/b8-7-.
What are the key properties of (Z)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
(Z)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 344.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 97464341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).