WDVWIICLSVLDGM-VXGBXAGGSA-N

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

C₁₉H₂₃F₂N₃O₃S — CID 121314578

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

IUPAC[2-(difluoromethoxy)phenyl]-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-thiadiazol-3-yl]-2-methylpiperidin-1-yl]methanone

SMILESC[C@@H]1CC[C@@H](c2nsc(C(C)(C)O)n2)CN1C(=O)c1ccccc1OC(F)F

InChIInChI=1S/C19H23F2N3O3S/c1-11-8-9-12(15-22-17(28-23-15)19(2,3)26)10-24(11)16(25)13-6-4-5-7-14(13)27-18(20)21/h4-7,11-12,18,26H,8-10H2,1-3H3/t11-,12-/m1/s1

InChIKeyWDVWIICLSVLDGM-VXGBXAGGSA-N

MW411.47 g/mol

LogP3.78

Rot. Bonds5

About WDVWIICLSVLDGM-VXGBXAGGSA-N

WDVWIICLSVLDGM-VXGBXAGGSA-N (PubChem CID 121314578) has the molecular formula C₁₉H₂₃F₂N₃O₃S and a molecular weight of 411.47 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-thiadiazol-3-yl]-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name	WDVWIICLSVLDGM-VXGBXAGGSA-N
PubChem CID	121314578
Molecular Formula	C₁₉H₂₃F₂N₃O₃S
Molecular Weight	411.47 g/mol
Exact Mass	411.14
IUPAC Name	[2-(difluoromethoxy)phenyl]-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-thiadiazol-3-yl]-2-methylpiperidin-1-yl]methanone
SMILES	C[C@@H]1CC[C@@H](c2nsc(C(C)(C)O)n2)CN1C(=O)c1ccccc1OC(F)F
InChI	InChI=1S/C19H23F2N3O3S/c1-11-8-9-12(15-22-17(28-23-15)19(2,3)26)10-24(11)16(25)13-6-4-5-7-14(13)27-18(20)21/h4-7,11-12,18,26H,8-10H2,1-3H3/t11-,12-/m1/s1
InChIKey	WDVWIICLSVLDGM-VXGBXAGGSA-N
XLogP	3.78
TPSA	75.55 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of WDVWIICLSVLDGM-VXGBXAGGSA-N?

The IUPAC name of WDVWIICLSVLDGM-VXGBXAGGSA-N (CID 121314578) is [2-(difluoromethoxy)phenyl]-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-thiadiazol-3-yl]-2-methylpiperidin-1-yl]methanone.

What is the SMILES notation for WDVWIICLSVLDGM-VXGBXAGGSA-N?

The canonical SMILES for WDVWIICLSVLDGM-VXGBXAGGSA-N is C[C@@H]1CC[C@@H](c2nsc(C(C)(C)O)n2)CN1C(=O)c1ccccc1OC(F)F.

What is the InChIKey of WDVWIICLSVLDGM-VXGBXAGGSA-N?

The InChIKey is WDVWIICLSVLDGM-VXGBXAGGSA-N. The full InChI is InChI=1S/C19H23F2N3O3S/c1-11-8-9-12(15-22-17(28-23-15)19(2,3)26)10-24(11)16(25)13-6-4-5-7-14(13)27-18(20)21/h4-7,11-12,18,26H,8-10H2,1-3H3/t11-,12-/m1/s1.

What are the key properties of WDVWIICLSVLDGM-VXGBXAGGSA-N?

WDVWIICLSVLDGM-VXGBXAGGSA-N has a molecular weight of 411.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for WDVWIICLSVLDGM-VXGBXAGGSA-N is sourced from PubChem (CID 121314578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 121314578 — identifiers, structure, computed properties (public domain)

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