(E)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide

C17H20N2O3S — CID 75533193

IUPAC(E)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
SMILESCOc1ccc(OC)c(CCNC(=O)/C=C/c2cnc(C)s2)c1
InChIInChI=1S/C17H20N2O3S/c1-12-19-11-15(23-12)5-7-17(20)18-9-8-13-10-14(21-2)4-6-16(13)22-3/h4-7,10-11H,8-9H2,1-3H3,(H,18,20)/b7-5+
InChIKeyHLZXLFHGTJAOCY-FNORWQNLSA-N
MW332.43 g/mol
LogP2.84
Rot. Bonds7

About (E)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide

(E)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide (PubChem CID 75533193) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is (E)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
PubChem CID75533193
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name(E)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
SMILESCOc1ccc(OC)c(CCNC(=O)/C=C/c2cnc(C)s2)c1
InChIInChI=1S/C17H20N2O3S/c1-12-19-11-15(23-12)5-7-17(20)18-9-8-13-10-14(21-2)4-6-16(13)22-3/h4-7,10-11H,8-9H2,1-3H3,(H,18,20)/b7-5+
InChIKeyHLZXLFHGTJAOCY-FNORWQNLSA-N
XLogP2.84
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.84
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

methyl 4-[2-[[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]amino]ethyl]benzoate
CID 75407250
(E)-3-(2,5-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)prop-2-enamide
CID 51058064
5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685272
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 1178359
(E)-3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 11324381
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 42991733
N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide
CID 110692153
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119705593
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764
(E)-N-[3-[2-(methylamino)ethoxy]phenyl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
CID 166276681
4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide
CID 120587964
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 22742653

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide (CID 75533193) is (E)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide is COc1ccc(OC)c(CCNC(=O)/C=C/c2cnc(C)s2)c1.
What is the InChIKey of (E)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide?
The InChIKey is HLZXLFHGTJAOCY-FNORWQNLSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-19-11-15(23-12)5-7-17(20)18-9-8-13-10-14(21-2)4-6-16(13)22-3/h4-7,10-11H,8-9H2,1-3H3,(H,18,20)/b7-5+.
What are the key properties of (E)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide?
(E)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide has a molecular weight of 332.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 75533193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).