ethyl 5-fluoro-1-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2-carboxylate

C17H17FN2O2S — CID 68716972

IUPACethyl 5-fluoro-1-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(F)ccc2n1C(C)c1scnc1C
InChIInChI=1S/C17H17FN2O2S/c1-4-22-17(21)15-8-12-7-13(18)5-6-14(12)20(15)11(3)16-10(2)19-9-23-16/h5-9,11H,4H2,1-3H3
InChIKeyAAUYNIIRFGPVLL-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.33
Rot. Bonds4

About ethyl 5-fluoro-1-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2-carboxylate

ethyl 5-fluoro-1-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2-carboxylate (PubChem CID 68716972) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 5-fluoro-1-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-1-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2-carboxylate
PubChem CID68716972
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Nameethyl 5-fluoro-1-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(F)ccc2n1C(C)c1scnc1C
InChIInChI=1S/C17H17FN2O2S/c1-4-22-17(21)15-8-12-7-13(18)5-6-14(12)20(15)11(3)16-10(2)19-9-23-16/h5-9,11H,4H2,1-3H3
InChIKeyAAUYNIIRFGPVLL-UHFFFAOYSA-N
XLogP4.33
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-1-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2-carboxylate?
The IUPAC name of ethyl 5-fluoro-1-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2-carboxylate (CID 68716972) is ethyl 5-fluoro-1-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-1-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2-carboxylate?
The canonical SMILES for ethyl 5-fluoro-1-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2-carboxylate is CCOC(=O)c1cc2cc(F)ccc2n1C(C)c1scnc1C.
What is the InChIKey of ethyl 5-fluoro-1-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2-carboxylate?
The InChIKey is AAUYNIIRFGPVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-4-22-17(21)15-8-12-7-13(18)5-6-14(12)20(15)11(3)16-10(2)19-9-23-16/h5-9,11H,4H2,1-3H3.
What are the key properties of ethyl 5-fluoro-1-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2-carboxylate?
ethyl 5-fluoro-1-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-1-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2-carboxylate is sourced from PubChem (CID 68716972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).