VWNUWPANRSYWQU-UHFFFAOYSA-N

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

C₁₇H₁₈F₂N₂S — CID 121385887

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

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

SMILESCN1CCCc2cc(-c3cnc(C4CC4)s3)c(C(F)F)cc21

InChIInChI=1S/C17H18F2N2S/c1-21-6-2-3-11-7-12(13(16(18)19)8-14(11)21)15-9-20-17(22-15)10-4-5-10/h7-10,16H,2-6H2,1H3

InChIKeyVWNUWPANRSYWQU-UHFFFAOYSA-N

MW320.41 g/mol

LogP5.01

Rot. Bonds3

About VWNUWPANRSYWQU-UHFFFAOYSA-N

VWNUWPANRSYWQU-UHFFFAOYSA-N (PubChem CID 121385887) has the molecular formula C₁₇H₁₈F₂N₂S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-cyclopropyl-5-[7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazole.

Molecular Properties

Compound Name	VWNUWPANRSYWQU-UHFFFAOYSA-N
PubChem CID	121385887
Molecular Formula	C₁₇H₁₈F₂N₂S
Molecular Weight	320.41 g/mol
Exact Mass	320.12
IUPAC Name	2-cyclopropyl-5-[7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazole
SMILES	CN1CCCc2cc(-c3cnc(C4CC4)s3)c(C(F)F)cc21
InChI	InChI=1S/C17H18F2N2S/c1-21-6-2-3-11-7-12(13(16(18)19)8-14(11)21)15-9-20-17(22-15)10-4-5-10/h7-10,16H,2-6H2,1H3
InChIKey	VWNUWPANRSYWQU-UHFFFAOYSA-N
XLogP	5.01
TPSA	16.13 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	320.41
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of VWNUWPANRSYWQU-UHFFFAOYSA-N (CID 121385887) is 2-cyclopropyl-5-[7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazole.

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

The canonical SMILES for VWNUWPANRSYWQU-UHFFFAOYSA-N is CN1CCCc2cc(-c3cnc(C4CC4)s3)c(C(F)F)cc21.

What is the InChIKey of VWNUWPANRSYWQU-UHFFFAOYSA-N?

The InChIKey is VWNUWPANRSYWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2S/c1-21-6-2-3-11-7-12(13(16(18)19)8-14(11)21)15-9-20-17(22-15)10-4-5-10/h7-10,16H,2-6H2,1H3.

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

VWNUWPANRSYWQU-UHFFFAOYSA-N has a molecular weight of 320.41 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for VWNUWPANRSYWQU-UHFFFAOYSA-N is sourced from PubChem (CID 121385887), 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 121385887 — identifiers, structure, computed properties (public domain)

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