(E)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C24H26N2O4S — CID 60568773

IUPAC(E)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NC(C)c2sc(-c3ccccc3)nc2C)cc(OC)c1OC
InChIInChI=1S/C24H26N2O4S/c1-15(23-16(2)26-24(31-23)18-9-7-6-8-10-18)25-21(27)12-11-17-13-19(28-3)22(30-5)20(14-17)29-4/h6-15H,1-5H3,(H,25,27)/b12-11+
InChIKeyANJYZJVZPDCPPO-VAWYXSNFSA-N
MW438.55 g/mol
LogP5.03
Rot. Bonds8

About (E)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 60568773) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is (E)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID60568773
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name(E)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NC(C)c2sc(-c3ccccc3)nc2C)cc(OC)c1OC
InChIInChI=1S/C24H26N2O4S/c1-15(23-16(2)26-24(31-23)18-9-7-6-8-10-18)25-21(27)12-11-17-13-19(28-3)22(30-5)20(14-17)29-4/h6-15H,1-5H3,(H,25,27)/b12-11+
InChIKeyANJYZJVZPDCPPO-VAWYXSNFSA-N
XLogP5.03
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 55.03
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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Related Compounds

(E)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7719138
(E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1186267
(E)-3-(3-bromo-4,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide
CID 19201958
(E)-3-phenyl-N-[(1R)-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]prop-2-enamide
CID 97413863
3-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 60568920
N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78569110
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 55382707
(E)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90547082
1-amino-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119750075
N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 91939231
(2S)-2-amino-3,3-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;hydrochloride
CID 119750099
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]prop-2-enamide
CID 167992847

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 60568773) is (E)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)NC(C)c2sc(-c3ccccc3)nc2C)cc(OC)c1OC.
What is the InChIKey of (E)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is ANJYZJVZPDCPPO-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-15(23-16(2)26-24(31-23)18-9-7-6-8-10-18)25-21(27)12-11-17-13-19(28-3)22(30-5)20(14-17)29-4/h6-15H,1-5H3,(H,25,27)/b12-11+.
What are the key properties of (E)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 438.55 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 60568773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).