(E)-3-(4-methoxyphenyl)-1-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]prop-2-en-1-one

C15H16N2O2S — CID 164886606

IUPAC(E)-3-(4-methoxyphenyl)-1-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]prop-2-en-1-one
SMILESCNc1nc(C(=O)/C=C/c2ccc(OC)cc2)c(C)s1
InChIInChI=1S/C15H16N2O2S/c1-10-14(17-15(16-2)20-10)13(18)9-6-11-4-7-12(19-3)8-5-11/h4-9H,1-3H3,(H,16,17)/b9-6+
InChIKeyUFLGJZHPDAVXQK-RMKNXTFCSA-N
MW288.37 g/mol
LogP3.40
Rot. Bonds5

About (E)-3-(4-methoxyphenyl)-1-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]prop-2-en-1-one

(E)-3-(4-methoxyphenyl)-1-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]prop-2-en-1-one (PubChem CID 164886606) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-1-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-1-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]prop-2-en-1-one
PubChem CID164886606
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(E)-3-(4-methoxyphenyl)-1-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]prop-2-en-1-one
SMILESCNc1nc(C(=O)/C=C/c2ccc(OC)cc2)c(C)s1
InChIInChI=1S/C15H16N2O2S/c1-10-14(17-15(16-2)20-10)13(18)9-6-11-4-7-12(19-3)8-5-11/h4-9H,1-3H3,(H,16,17)/b9-6+
InChIKeyUFLGJZHPDAVXQK-RMKNXTFCSA-N
XLogP3.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.40
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

1-[2-[(2-Methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 2443329
1-[4-Methyl-2-[2-(4-methylphenoxy)ethylamino]-5-thiazolyl]ethanone
CID 1980098
1-(5-Acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea
CID 127040286
(E)-3-(4-hydroxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one
CID 162651007
2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 2438786
2-{[3-(4-methoxyphenyl)acryloyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 897082
(2R)-N-[4-acetyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-aminopropanamide
CID 137349399
Methyl 2-amino-5-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 2768483
1-(2-{N'-[1-(4-Methoxy-phenyl)-ethylidene]-hydrazino}-4-methyl-thiazol-5-yl)-ethanone
CID 56642959
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-methylphenoxy)butanamide
CID 1637655
(E)-3-(2-methoxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one
CID 54583399
(E)-3-(4-methoxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one
CID 54584349

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-1-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(4-methoxyphenyl)-1-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]prop-2-en-1-one (CID 164886606) is (E)-3-(4-methoxyphenyl)-1-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-1-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-1-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]prop-2-en-1-one is CNc1nc(C(=O)/C=C/c2ccc(OC)cc2)c(C)s1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-1-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]prop-2-en-1-one?
The InChIKey is UFLGJZHPDAVXQK-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-14(17-15(16-2)20-10)13(18)9-6-11-4-7-12(19-3)8-5-11/h4-9H,1-3H3,(H,16,17)/b9-6+.
What are the key properties of (E)-3-(4-methoxyphenyl)-1-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]prop-2-en-1-one?
(E)-3-(4-methoxyphenyl)-1-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]prop-2-en-1-one has a molecular weight of 288.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-1-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]prop-2-en-1-one is sourced from PubChem (CID 164886606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).