YNZKKLFLTOBOJT-UHFFFAOYSA-N

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

C₁₈H₂₀F₂N₂S — CID 130440420

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

IUPAC2-cyclopropyl-5-[7-(difluoromethyl)-1-ethyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazole

SMILESCCN1CCCc2cc(-c3cnc(C4CC4)s3)c(C(F)F)cc21

InChIInChI=1S/C18H20F2N2S/c1-2-22-7-3-4-12-8-13(14(17(19)20)9-15(12)22)16-10-21-18(23-16)11-5-6-11/h8-11,17H,2-7H2,1H3

InChIKeyYNZKKLFLTOBOJT-UHFFFAOYSA-N

MW334.44 g/mol

LogP5.40

Rot. Bonds4

About YNZKKLFLTOBOJT-UHFFFAOYSA-N

YNZKKLFLTOBOJT-UHFFFAOYSA-N (PubChem CID 130440420) has the molecular formula C₁₈H₂₀F₂N₂S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-cyclopropyl-5-[7-(difluoromethyl)-1-ethyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazole.

Molecular Properties

Compound Name	YNZKKLFLTOBOJT-UHFFFAOYSA-N
PubChem CID	130440420
Molecular Formula	C₁₈H₂₀F₂N₂S
Molecular Weight	334.44 g/mol
Exact Mass	334.13
IUPAC Name	2-cyclopropyl-5-[7-(difluoromethyl)-1-ethyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazole
SMILES	CCN1CCCc2cc(-c3cnc(C4CC4)s3)c(C(F)F)cc21
InChI	InChI=1S/C18H20F2N2S/c1-2-22-7-3-4-12-8-13(14(17(19)20)9-15(12)22)16-10-21-18(23-16)11-5-6-11/h8-11,17H,2-7H2,1H3
InChIKey	YNZKKLFLTOBOJT-UHFFFAOYSA-N
XLogP	5.40
TPSA	16.13 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	334.44
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of YNZKKLFLTOBOJT-UHFFFAOYSA-N (CID 130440420) is 2-cyclopropyl-5-[7-(difluoromethyl)-1-ethyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazole.

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

The canonical SMILES for YNZKKLFLTOBOJT-UHFFFAOYSA-N is CCN1CCCc2cc(-c3cnc(C4CC4)s3)c(C(F)F)cc21.

What is the InChIKey of YNZKKLFLTOBOJT-UHFFFAOYSA-N?

The InChIKey is YNZKKLFLTOBOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2S/c1-2-22-7-3-4-12-8-13(14(17(19)20)9-15(12)22)16-10-21-18(23-16)11-5-6-11/h8-11,17H,2-7H2,1H3.

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

YNZKKLFLTOBOJT-UHFFFAOYSA-N has a molecular weight of 334.44 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for YNZKKLFLTOBOJT-UHFFFAOYSA-N is sourced from PubChem (CID 130440420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 130440420 — identifiers, structure, computed properties (public domain)

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