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

C15H18N2O4S — CID 7759157

IUPAC(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NC2=NCCS2)cc(OC)c1OC
InChIInChI=1S/C15H18N2O4S/c1-19-11-8-10(9-12(20-2)14(11)21-3)4-5-13(18)17-15-16-6-7-22-15/h4-5,8-9H,6-7H2,1-3H3,(H,16,17,18)/b5-4+
InChIKeyJOXPHDAUNJTCQX-SNAWJCMRSA-N
MW322.39 g/mol
LogP1.94
Rot. Bonds5

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

(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 7759157) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID7759157
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NC2=NCCS2)cc(OC)c1OC
InChIInChI=1S/C15H18N2O4S/c1-19-11-8-10(9-12(20-2)14(11)21-3)4-5-13(18)17-15-16-6-7-22-15/h4-5,8-9H,6-7H2,1-3H3,(H,16,17,18)/b5-4+
InChIKeyJOXPHDAUNJTCQX-SNAWJCMRSA-N
XLogP1.94
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 7759157) is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)NC2=NCCS2)cc(OC)c1OC.
What is the InChIKey of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is JOXPHDAUNJTCQX-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-19-11-8-10(9-12(20-2)14(11)21-3)4-5-13(18)17-15-16-6-7-22-15/h4-5,8-9H,6-7H2,1-3H3,(H,16,17,18)/b5-4+.
What are the key properties of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 322.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 7759157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).