2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate

C18H17NO3S2 — CID 165153483

IUPAC2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOc1ccc(-c2nc(C(=O)OCCc3cccs3)cs2)cc1
InChIInChI=1S/C18H17NO3S2/c1-2-21-14-7-5-13(6-8-14)17-19-16(12-24-17)18(20)22-10-9-15-4-3-11-23-15/h3-8,11-12H,2,9-10H2,1H3
InChIKeyLQSQPUVXVTWSLS-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.67
Rot. Bonds7

About 2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate

2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 165153483) has the molecular formula C18H17NO3S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID165153483
Molecular FormulaC18H17NO3S2
Molecular Weight359.47 g/mol
Exact Mass359.06
IUPAC Name2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOc1ccc(-c2nc(C(=O)OCCc3cccs3)cs2)cc1
InChIInChI=1S/C18H17NO3S2/c1-2-21-14-7-5-13(6-8-14)17-19-16(12-24-17)18(20)22-10-9-15-4-3-11-23-15/h3-8,11-12H,2,9-10H2,1H3
InChIKeyLQSQPUVXVTWSLS-UHFFFAOYSA-N
XLogP4.67
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

thiophen-3-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 155594299
prop-2-enyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153448
prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153458
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 35492895
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135962
2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 86914535
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135335
ethyl 2-(4-hexoxyphenyl)-1,3-thiazole-4-carboxylate
CID 155594268
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 46640740
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824580
2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 78815304

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate (CID 165153483) is 2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate is CCOc1ccc(-c2nc(C(=O)OCCc3cccs3)cs2)cc1.
What is the InChIKey of 2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is LQSQPUVXVTWSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S2/c1-2-21-14-7-5-13(6-8-14)17-19-16(12-24-17)18(20)22-10-9-15-4-3-11-23-15/h3-8,11-12H,2,9-10H2,1H3.
What are the key properties of 2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate?
2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 165153483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).