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

Name: Ethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₃FN₂O₂S — CID 15978861

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Ethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
PubChem CID	15978861
Molecular Formula	C₁₅H₁₃FN₂O₂S
Molecular Weight	304.35 g/mol
Exact Mass	304.07
IUPAC Name	ethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
SMILES	CCOC(=O)c1cc2cc(F)ccc2n1Cc1nccs1
InChI	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
InChIKey	UINFXZLHOIUTKR-UHFFFAOYSA-N
XLogP	3.46
TPSA	44.12 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.35
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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).

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Sources

PubChem CID 15978861 — identifiers, structure, computed properties (public domain)

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