ZTIBSLJFRIBHAV-UHFFFAOYSA-N

Name: ZTIBSLJFRIBHAV-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₀F₃N₅O₂S — CID 91468305

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

IUPAC2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol

SMILESOC(Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)N1CCN(c2nccs2)CC1

InChIInChI=1S/C21H20F3N5O2S/c22-21(23,24)17-9-15(14-1-7-31-13-14)11-29-12-16(26-19(17)29)10-18(30)27-3-5-28(6-4-27)20-25-2-8-32-20/h1-2,7-9,11-13,18,30H,3-6,10H2

InChIKeyZTIBSLJFRIBHAV-UHFFFAOYSA-N

MW463.49 g/mol

LogP3.75

Rot. Bonds5

About ZTIBSLJFRIBHAV-UHFFFAOYSA-N

ZTIBSLJFRIBHAV-UHFFFAOYSA-N (PubChem CID 91468305) has the molecular formula C₂₁H₂₀F₃N₅O₂S and a molecular weight of 463.49 g/mol. Its IUPAC name is 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name	ZTIBSLJFRIBHAV-UHFFFAOYSA-N
PubChem CID	91468305
Molecular Formula	C₂₁H₂₀F₃N₅O₂S
Molecular Weight	463.49 g/mol
Exact Mass	463.13
IUPAC Name	2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol
SMILES	OC(Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)N1CCN(c2nccs2)CC1
InChI	InChI=1S/C21H20F3N5O2S/c22-21(23,24)17-9-15(14-1-7-31-13-14)11-29-12-16(26-19(17)29)10-18(30)27-3-5-28(6-4-27)20-25-2-8-32-20/h1-2,7-9,11-13,18,30H,3-6,10H2
InChIKey	ZTIBSLJFRIBHAV-UHFFFAOYSA-N
XLogP	3.75
TPSA	70.04 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	5
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.49
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ZTIBSLJFRIBHAV-UHFFFAOYSA-N?

The IUPAC name of ZTIBSLJFRIBHAV-UHFFFAOYSA-N (CID 91468305) is 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol.

What is the SMILES notation for ZTIBSLJFRIBHAV-UHFFFAOYSA-N?

The canonical SMILES for ZTIBSLJFRIBHAV-UHFFFAOYSA-N is OC(Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)N1CCN(c2nccs2)CC1.

What is the InChIKey of ZTIBSLJFRIBHAV-UHFFFAOYSA-N?

The InChIKey is ZTIBSLJFRIBHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2S/c22-21(23,24)17-9-15(14-1-7-31-13-14)11-29-12-16(26-19(17)29)10-18(30)27-3-5-28(6-4-27)20-25-2-8-32-20/h1-2,7-9,11-13,18,30H,3-6,10H2.

What are the key properties of ZTIBSLJFRIBHAV-UHFFFAOYSA-N?

ZTIBSLJFRIBHAV-UHFFFAOYSA-N has a molecular weight of 463.49 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ZTIBSLJFRIBHAV-UHFFFAOYSA-N is sourced from PubChem (CID 91468305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 91468305 — identifiers, structure, computed properties (public domain)

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