ethyl 2-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate

C17H18N2O4S — CID 707195

IUPACethyl 2-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)/C=C/c2ccc(OC)cc2)n1
InChIInChI=1S/C17H18N2O4S/c1-3-23-16(21)10-13-11-24-17(18-13)19-15(20)9-6-12-4-7-14(22-2)8-5-12/h4-9,11H,3,10H2,1-2H3,(H,18,19,20)/b9-6+
InChIKeyOILAUTXNLFJSJQ-RMKNXTFCSA-N
MW346.41 g/mol
LogP2.91
Rot. Bonds7

About ethyl 2-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 707195) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is ethyl 2-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID707195
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Nameethyl 2-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)/C=C/c2ccc(OC)cc2)n1
InChIInChI=1S/C17H18N2O4S/c1-3-23-16(21)10-13-11-24-17(18-13)19-15(20)9-6-12-4-7-14(22-2)8-5-12/h4-9,11H,3,10H2,1-2H3,(H,18,19,20)/b9-6+
InChIKeyOILAUTXNLFJSJQ-RMKNXTFCSA-N
XLogP2.91
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

T16AInh-A01
CID 135460621
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 2168034
Ethyl (2-{[(3-methylphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 699676
Methyl 2-(4-ethoxybenzamido)-4-methylthiazole-5-carboxylate
CID 1877175
Ethyl (2-{[(4-methylphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 2066145
Prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2138172
Ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 2381436
4-{N-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}phenyl acetate
CID 2992172
Ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 3548924
Methyl 4-methyl-2-[2-(4-methylphenoxy)acetamido]-1,3-thiazole-5-carboxylate
CID 698158
(2Z)-2-(2-(((benzyloxy)carbonyl)amino)-1,3-thiazol-4-yl)-5-((3-methylbut-2-en-1-yl)oxy)-5-oxopent-2-enoic acid
CID 13671444
Ethyl 2-{[(4-tert-butylphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 978479

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate (CID 707195) is ethyl 2-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)/C=C/c2ccc(OC)cc2)n1.
What is the InChIKey of ethyl 2-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is OILAUTXNLFJSJQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-3-23-16(21)10-13-11-24-17(18-13)19-15(20)9-6-12-4-7-14(22-2)8-5-12/h4-9,11H,3,10H2,1-2H3,(H,18,19,20)/b9-6+.
What are the key properties of ethyl 2-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 346.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 707195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).