methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate

C15H14N2O2S — CID 58694522

IUPACmethyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate
SMILESCCn1cc(-c2nccs2)c2ccc(C(=O)OC)cc21
InChIInChI=1S/C15H14N2O2S/c1-3-17-9-12(14-16-6-7-20-14)11-5-4-10(8-13(11)17)15(18)19-2/h4-9H,3H2,1-2H3
InChIKeyCUSSCGWEIHRNIK-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.57
Rot. Bonds3

About methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate

methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate (PubChem CID 58694522) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate
PubChem CID58694522
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Namemethyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate
SMILESCCn1cc(-c2nccs2)c2ccc(C(=O)OC)cc21
InChIInChI=1S/C15H14N2O2S/c1-3-17-9-12(14-16-6-7-20-14)11-5-4-10(8-13(11)17)15(18)19-2/h4-9H,3H2,1-2H3
InChIKeyCUSSCGWEIHRNIK-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate?
The IUPAC name of methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate (CID 58694522) is methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate.
What is the SMILES notation for methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate?
The canonical SMILES for methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate is CCn1cc(-c2nccs2)c2ccc(C(=O)OC)cc21.
What is the InChIKey of methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate?
The InChIKey is CUSSCGWEIHRNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-3-17-9-12(14-16-6-7-20-14)11-5-4-10(8-13(11)17)15(18)19-2/h4-9H,3H2,1-2H3.
What are the key properties of methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate?
methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate has a molecular weight of 286.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate is sourced from PubChem (CID 58694522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).