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

C15H16N2O4S — CID 797958

IUPACN-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2nccs2)cc(OC)c1OC
InChIInChI=1S/C15H16N2O4S/c1-19-11-8-10(9-12(20-2)14(11)21-3)4-5-13(18)17-15-16-6-7-22-15/h4-9H,1-3H3,(H,16,17,18)
InChIKeyAFWWGQYVVYWXIM-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.82
Rot. Bonds6

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

N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 797958) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID797958
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2nccs2)cc(OC)c1OC
InChIInChI=1S/C15H16N2O4S/c1-19-11-8-10(9-12(20-2)14(11)21-3)4-5-13(18)17-15-16-6-7-22-15/h4-9H,1-3H3,(H,16,17,18)
InChIKeyAFWWGQYVVYWXIM-UHFFFAOYSA-N
XLogP2.82
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.82
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 N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 797958) is N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(C=CC(=O)Nc2nccs2)cc(OC)c1OC.
What is the InChIKey of N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is AFWWGQYVVYWXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-19-11-8-10(9-12(20-2)14(11)21-3)4-5-13(18)17-15-16-6-7-22-15/h4-9H,1-3H3,(H,16,17,18).
What are the key properties of N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 320.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 797958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).