YOCNHZZQQRUREG-GFCCVEGCSA-N

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

C₁₆H₁₅F₃N₂O₂S — CID 152554134

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

IUPAC[2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone

SMILESCc1nc(N2CC[C@@H](O)C2)sc1C(=O)c1cccc(C(F)(F)F)c1

InChIInChI=1S/C16H15F3N2O2S/c1-9-14(24-15(20-9)21-6-5-12(22)8-21)13(23)10-3-2-4-11(7-10)16(17,18)19/h2-4,7,12,22H,5-6,8H2,1H3/t12-/m1/s1

InChIKeyYOCNHZZQQRUREG-GFCCVEGCSA-N

MW356.37 g/mol

LogP3.27

Rot. Bonds3

About YOCNHZZQQRUREG-GFCCVEGCSA-N

YOCNHZZQQRUREG-GFCCVEGCSA-N (PubChem CID 152554134) has the molecular formula C₁₆H₁₅F₃N₂O₂S and a molecular weight of 356.37 g/mol. Its IUPAC name is [2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name	YOCNHZZQQRUREG-GFCCVEGCSA-N
PubChem CID	152554134
Molecular Formula	C₁₆H₁₅F₃N₂O₂S
Molecular Weight	356.37 g/mol
Exact Mass	356.08
IUPAC Name	[2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILES	Cc1nc(N2CC[C@@H](O)C2)sc1C(=O)c1cccc(C(F)(F)F)c1
InChI	InChI=1S/C16H15F3N2O2S/c1-9-14(24-15(20-9)21-6-5-12(22)8-21)13(23)10-3-2-4-11(7-10)16(17,18)19/h2-4,7,12,22H,5-6,8H2,1H3/t12-/m1/s1
InChIKey	YOCNHZZQQRUREG-GFCCVEGCSA-N
XLogP	3.27
TPSA	53.43 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	3
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.37
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of YOCNHZZQQRUREG-GFCCVEGCSA-N?

The IUPAC name of YOCNHZZQQRUREG-GFCCVEGCSA-N (CID 152554134) is [2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone.

What is the SMILES notation for YOCNHZZQQRUREG-GFCCVEGCSA-N?

The canonical SMILES for YOCNHZZQQRUREG-GFCCVEGCSA-N is Cc1nc(N2CC[C@@H](O)C2)sc1C(=O)c1cccc(C(F)(F)F)c1.

What is the InChIKey of YOCNHZZQQRUREG-GFCCVEGCSA-N?

The InChIKey is YOCNHZZQQRUREG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c1-9-14(24-15(20-9)21-6-5-12(22)8-21)13(23)10-3-2-4-11(7-10)16(17,18)19/h2-4,7,12,22H,5-6,8H2,1H3/t12-/m1/s1.

What are the key properties of YOCNHZZQQRUREG-GFCCVEGCSA-N?

YOCNHZZQQRUREG-GFCCVEGCSA-N has a molecular weight of 356.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for YOCNHZZQQRUREG-GFCCVEGCSA-N is sourced from PubChem (CID 152554134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 152554134 — identifiers, structure, computed properties (public domain)

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