SDCQRJLXFKTPFR-GHMZBOCLSA-N

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

C₁₇H₁₈F₄N₂S — CID 151823507

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

IUPAC5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole

SMILESC[C@@H]1CC[C@@H](C)N1Cc1scnc1-c1cc(F)cc(C(F)(F)F)c1

InChIInChI=1S/C17H18F4N2S/c1-10-3-4-11(2)23(10)8-15-16(22-9-24-15)12-5-13(17(19,20)21)7-14(18)6-12/h5-7,9-11H,3-4,8H2,1-2H3/t10-,11-/m1/s1

InChIKeySDCQRJLXFKTPFR-GHMZBOCLSA-N

MW358.40 g/mol

LogP5.34

Rot. Bonds3

About SDCQRJLXFKTPFR-GHMZBOCLSA-N

SDCQRJLXFKTPFR-GHMZBOCLSA-N (PubChem CID 151823507) has the molecular formula C₁₇H₁₈F₄N₂S and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name	SDCQRJLXFKTPFR-GHMZBOCLSA-N
PubChem CID	151823507
Molecular Formula	C₁₇H₁₈F₄N₂S
Molecular Weight	358.40 g/mol
Exact Mass	358.11
IUPAC Name	5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole
SMILES	C[C@@H]1CC[C@@H](C)N1Cc1scnc1-c1cc(F)cc(C(F)(F)F)c1
InChI	InChI=1S/C17H18F4N2S/c1-10-3-4-11(2)23(10)8-15-16(22-9-24-15)12-5-13(17(19,20)21)7-14(18)6-12/h5-7,9-11H,3-4,8H2,1-2H3/t10-,11-/m1/s1
InChIKey	SDCQRJLXFKTPFR-GHMZBOCLSA-N
XLogP	5.34
TPSA	16.13 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	358.40
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of SDCQRJLXFKTPFR-GHMZBOCLSA-N?

The IUPAC name of SDCQRJLXFKTPFR-GHMZBOCLSA-N (CID 151823507) is 5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole.

What is the SMILES notation for SDCQRJLXFKTPFR-GHMZBOCLSA-N?

The canonical SMILES for SDCQRJLXFKTPFR-GHMZBOCLSA-N is C[C@@H]1CC[C@@H](C)N1Cc1scnc1-c1cc(F)cc(C(F)(F)F)c1.

What is the InChIKey of SDCQRJLXFKTPFR-GHMZBOCLSA-N?

The InChIKey is SDCQRJLXFKTPFR-GHMZBOCLSA-N. The full InChI is InChI=1S/C17H18F4N2S/c1-10-3-4-11(2)23(10)8-15-16(22-9-24-15)12-5-13(17(19,20)21)7-14(18)6-12/h5-7,9-11H,3-4,8H2,1-2H3/t10-,11-/m1/s1.

What are the key properties of SDCQRJLXFKTPFR-GHMZBOCLSA-N?

SDCQRJLXFKTPFR-GHMZBOCLSA-N has a molecular weight of 358.40 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for SDCQRJLXFKTPFR-GHMZBOCLSA-N is sourced from PubChem (CID 151823507), 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 151823507 — identifiers, structure, computed properties (public domain)

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