(E)-3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide

C20H18N2O2S — CID 26176537

IUPAC(E)-3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N(c1ccccc1)c1nc(C)cs1
InChIInChI=1S/C20H18N2O2S/c1-15-14-25-20(21-15)22(17-9-4-3-5-10-17)19(23)13-12-16-8-6-7-11-18(16)24-2/h3-14H,1-2H3/b13-12+
InChIKeyPMVORGMQRBDEOB-OUKQBFOZSA-N
MW350.44 g/mol
LogP4.84
Rot. Bonds5

About (E)-3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide

(E)-3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide (PubChem CID 26176537) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
PubChem CID26176537
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name(E)-3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N(c1ccccc1)c1nc(C)cs1
InChIInChI=1S/C20H18N2O2S/c1-15-14-25-20(21-15)22(17-9-4-3-5-10-17)19(23)13-12-16-8-6-7-11-18(16)24-2/h3-14H,1-2H3/b13-12+
InChIKeyPMVORGMQRBDEOB-OUKQBFOZSA-N
XLogP4.84
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 43616649
(E)-3-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 26176564
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2671893
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylthiophene-2-carboxamide
CID 9110040
(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 9206281
4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide
CID 112765245
2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 16549645
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
CID 62727733
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide
CID 78778253
2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 42999079
2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide
CID 78778238

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide (CID 26176537) is (E)-3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide is COc1ccccc1/C=C/C(=O)N(c1ccccc1)c1nc(C)cs1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
The InChIKey is PMVORGMQRBDEOB-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-15-14-25-20(21-15)22(17-9-4-3-5-10-17)19(23)13-12-16-8-6-7-11-18(16)24-2/h3-14H,1-2H3/b13-12+.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide has a molecular weight of 350.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide is sourced from PubChem (CID 26176537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).