ethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate

C15H13FN2O2S — CID 15978861

IUPACethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(F)ccc2n1Cc1nccs1
InChIInChI=1S/C15H13FN2O2S/c1-2-20-15(19)13-8-10-7-11(16)3-4-12(10)18(13)9-14-17-5-6-21-14/h3-8H,2,9H2,1H3
InChIKeyUINFXZLHOIUTKR-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.46
Rot. Bonds4

About ethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate

ethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate (PubChem CID 15978861) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
PubChem CID15978861
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Nameethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(F)ccc2n1Cc1nccs1
InChIInChI=1S/C15H13FN2O2S/c1-2-20-15(19)13-8-10-7-11(16)3-4-12(10)18(13)9-14-17-5-6-21-14/h3-8H,2,9H2,1H3
InChIKeyUINFXZLHOIUTKR-UHFFFAOYSA-N
XLogP3.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
CID 58102335
ethyl 5-fluoro-1-[(3-methyl-2-pyridinyl)methyl]indole-2-carboxylate
CID 15979106
ethyl 5-(10,10-dimethylundecyl)-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
CID 150258197
ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate
CID 146348691
ethyl 5-fluoro-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxylate
CID 68714563
ethyl 5-fluoro-1-methylindole-2-carboxylate
CID 10775338
ethyl 1-[(3,5-difluorophenyl)methyl]indole-2-carboxylate
CID 143638283
ethyl 5-fluoro-1-[(2-pyrrolidin-2-yl-3-pyridinyl)methyl]indole-2-carboxylate
CID 15978985
ethyl 1-[(7-fluoronaphthalen-1-yl)methyl]-5-methylindole-2-carboxylate
CID 68580497
ethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 6487721
ethyl 1-[(3-fluorophenyl)methyl]-5-iodoindole-2-carboxylate
CID 66850777
ethyl 5-tert-butyl-1-(pyridin-2-ylmethyl)indole-2-carboxylate
CID 15979366

Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate?
The IUPAC name of ethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate (CID 15978861) is ethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate?
The canonical SMILES for ethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate is CCOC(=O)c1cc2cc(F)ccc2n1Cc1nccs1.
What is the InChIKey of ethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate?
The InChIKey is UINFXZLHOIUTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-2-20-15(19)13-8-10-7-11(16)3-4-12(10)18(13)9-14-17-5-6-21-14/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate?
ethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 3.46, 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-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate is sourced from PubChem (CID 15978861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).