ethyl 5-(2-methylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxylate

C14H17NO2S2 — CID 59345263

IUPACethyl 5-(2-methylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccsc2)sc1CC(C)C
InChIInChI=1S/C14H17NO2S2/c1-4-17-14(16)12-11(7-9(2)3)19-13(15-12)10-5-6-18-8-10/h5-6,8-9H,4,7H2,1-3H3
InChIKeyOYOHOKOHPQXUAB-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.25
Rot. Bonds5

About ethyl 5-(2-methylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxylate

ethyl 5-(2-methylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxylate (PubChem CID 59345263) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is ethyl 5-(2-methylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-methylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxylate
PubChem CID59345263
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC Nameethyl 5-(2-methylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccsc2)sc1CC(C)C
InChIInChI=1S/C14H17NO2S2/c1-4-17-14(16)12-11(7-9(2)3)19-13(15-12)10-5-6-18-8-10/h5-6,8-9H,4,7H2,1-3H3
InChIKeyOYOHOKOHPQXUAB-UHFFFAOYSA-N
XLogP4.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 59345168
ethyl 2-(3-methoxy-4-nitrophenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
CID 59226315
ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 53271415
ethyl 5-(2-bromoethyl)-2-phenyl-1,3-thiazole-4-carboxylate
CID 174699502
ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate
CID 112693784
ethyl 5-(4-thiophen-3-ylphenyl)-2H-triazole-4-carboxylate
CID 169401570
(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine
CID 62403368
(4-propan-2-yl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine
CID 114361469
ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136701775
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 46660666
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
CID 149293605

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-methylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxylate (CID 59345263) is ethyl 5-(2-methylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-methylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-methylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(-c2ccsc2)sc1CC(C)C.
What is the InChIKey of ethyl 5-(2-methylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The InChIKey is OYOHOKOHPQXUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-4-17-14(16)12-11(7-9(2)3)19-13(15-12)10-5-6-18-8-10/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of ethyl 5-(2-methylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
ethyl 5-(2-methylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxylate has a molecular weight of 295.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 59345263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).