ethyl 2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate

C15H14N2O2S — CID 131875535

IUPACethyl 2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2cc3ccccc3n2C)n1
InChIInChI=1S/C15H14N2O2S/c1-3-19-15(18)11-9-20-14(16-11)13-8-10-6-4-5-7-12(10)17(13)2/h4-9H,3H2,1-2H3
InChIKeyMYHQFFUPJLPUMB-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.48
Rot. Bonds3

About ethyl 2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate

ethyl 2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 131875535) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is ethyl 2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID131875535
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Nameethyl 2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2cc3ccccc3n2C)n1
InChIInChI=1S/C15H14N2O2S/c1-3-19-15(18)11-9-20-14(16-11)13-8-10-6-4-5-7-12(10)17(13)2/h4-9H,3H2,1-2H3
InChIKeyMYHQFFUPJLPUMB-UHFFFAOYSA-N
XLogP3.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 58924938
ethyl 2-(4-methyl-3-phenylthiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 67071923
ethyl 2-[2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-1,3-thiazole-4-carboxylate
CID 52904818
ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115280369
ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
CID 115422116
ethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136938657
ethyl 2-(5-methyl-1,4-diphenylimidazol-2-yl)-1,3-thiazole-4-carboxylate
CID 72543869
ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 78974871
ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate
CID 169498589
ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 104822748
ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114884535
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114905320

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate (CID 131875535) is ethyl 2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2cc3ccccc3n2C)n1.
What is the InChIKey of ethyl 2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is MYHQFFUPJLPUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-3-19-15(18)11-9-20-14(16-11)13-8-10-6-4-5-7-12(10)17(13)2/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate?
ethyl 2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 286.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 131875535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).