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

C15H19NO2S2 — CID 59345168

IUPACethyl 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C)s2)sc1CC(C)C
InChIInChI=1S/C15H19NO2S2/c1-5-18-15(17)13-12(8-9(2)3)20-14(16-13)11-7-6-10(4)19-11/h6-7,9H,5,8H2,1-4H3
InChIKeyZZJUFCSVSIUPTH-UHFFFAOYSA-N
MW309.46 g/mol
LogP4.56
Rot. Bonds5

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

ethyl 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 59345168) has the molecular formula C15H19NO2S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is ethyl 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID59345168
Molecular FormulaC15H19NO2S2
Molecular Weight309.46 g/mol
Exact Mass309.09
IUPAC Nameethyl 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C)s2)sc1CC(C)C
InChIInChI=1S/C15H19NO2S2/c1-5-18-15(17)13-12(8-9(2)3)20-14(16-13)11-7-6-10(4)19-11/h6-7,9H,5,8H2,1-4H3
InChIKeyZZJUFCSVSIUPTH-UHFFFAOYSA-N
XLogP4.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
CID 59226310
Methyl 5-ethyl-2-phenyl-1,3-thiazole-4-carboxylate
CID 2741273
Ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
Ethyl 2-(2-fluorophenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
CID 59226299
Ethyl 2-(4-fluorophenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
CID 59226309
Ethyl 5-ethyl-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxylate
CID 69632924
Methyl 5-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 122476470
Ethyl 2-(2,5-difluorophenyl)-5-(2-ethylidenehexa-3,5-dienyl)-1,3-thiazole-4-carboxylate
CID 123974507
Ethyl 5-(fluoromethyl)-2-phenyl-1,3-thiazole-4-carboxylate
CID 141213416
5-Methyl-2-phenyl-thiazole-4-carboxylic acid ethyl ester
CID 15093946
Diethyl 2-thiophen-2-yl-1,3-thiazole-4,5-dicarboxylate
CID 85635795
Ethyl 5-benzyl-2-phenyl-1,3-thiazole-4-carboxylate
CID 139233011

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate (CID 59345168) is ethyl 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(-c2ccc(C)s2)sc1CC(C)C.
What is the InChIKey of ethyl 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is ZZJUFCSVSIUPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S2/c1-5-18-15(17)13-12(8-9(2)3)20-14(16-13)11-7-6-10(4)19-11/h6-7,9H,5,8H2,1-4H3.
What are the key properties of ethyl 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate?
ethyl 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 309.46 g/mol, XLogP of 4.56, 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-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 59345168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).