1-cyclopentyl-4-[[2-fluoro-4-(1,3-thiazol-5-yl)phenyl]methyl]piperazine-2,3-dione

C19H20FN3O2S — CID 166103365

IUPAC1-cyclopentyl-4-[[2-fluoro-4-(1,3-thiazol-5-yl)phenyl]methyl]piperazine-2,3-dione
SMILESO=C1C(=O)N(C2CCCC2)CCN1Cc1ccc(-c2cncs2)cc1F
InChIInChI=1S/C19H20FN3O2S/c20-16-9-13(17-10-21-12-26-17)5-6-14(16)11-22-7-8-23(19(25)18(22)24)15-3-1-2-4-15/h5-6,9-10,12,15H,1-4,7-8,11H2
InChIKeyBWGNIMBEULMOSO-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.06
Rot. Bonds4

About 1-cyclopentyl-4-[[2-fluoro-4-(1,3-thiazol-5-yl)phenyl]methyl]piperazine-2,3-dione

1-cyclopentyl-4-[[2-fluoro-4-(1,3-thiazol-5-yl)phenyl]methyl]piperazine-2,3-dione (PubChem CID 166103365) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[2-fluoro-4-(1,3-thiazol-5-yl)phenyl]methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-cyclopentyl-4-[[2-fluoro-4-(1,3-thiazol-5-yl)phenyl]methyl]piperazine-2,3-dione
PubChem CID166103365
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name1-cyclopentyl-4-[[2-fluoro-4-(1,3-thiazol-5-yl)phenyl]methyl]piperazine-2,3-dione
SMILESO=C1C(=O)N(C2CCCC2)CCN1Cc1ccc(-c2cncs2)cc1F
InChIInChI=1S/C19H20FN3O2S/c20-16-9-13(17-10-21-12-26-17)5-6-14(16)11-22-7-8-23(19(25)18(22)24)15-3-1-2-4-15/h5-6,9-10,12,15H,1-4,7-8,11H2
InChIKeyBWGNIMBEULMOSO-UHFFFAOYSA-N
XLogP3.06
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[2-fluoro-4-(1,3-thiazol-5-yl)phenyl]methyl]piperazine-2,3-dione?
The IUPAC name of 1-cyclopentyl-4-[[2-fluoro-4-(1,3-thiazol-5-yl)phenyl]methyl]piperazine-2,3-dione (CID 166103365) is 1-cyclopentyl-4-[[2-fluoro-4-(1,3-thiazol-5-yl)phenyl]methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-cyclopentyl-4-[[2-fluoro-4-(1,3-thiazol-5-yl)phenyl]methyl]piperazine-2,3-dione?
The canonical SMILES for 1-cyclopentyl-4-[[2-fluoro-4-(1,3-thiazol-5-yl)phenyl]methyl]piperazine-2,3-dione is O=C1C(=O)N(C2CCCC2)CCN1Cc1ccc(-c2cncs2)cc1F.
What is the InChIKey of 1-cyclopentyl-4-[[2-fluoro-4-(1,3-thiazol-5-yl)phenyl]methyl]piperazine-2,3-dione?
The InChIKey is BWGNIMBEULMOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c20-16-9-13(17-10-21-12-26-17)5-6-14(16)11-22-7-8-23(19(25)18(22)24)15-3-1-2-4-15/h5-6,9-10,12,15H,1-4,7-8,11H2.
What are the key properties of 1-cyclopentyl-4-[[2-fluoro-4-(1,3-thiazol-5-yl)phenyl]methyl]piperazine-2,3-dione?
1-cyclopentyl-4-[[2-fluoro-4-(1,3-thiazol-5-yl)phenyl]methyl]piperazine-2,3-dione has a molecular weight of 373.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[2-fluoro-4-(1,3-thiazol-5-yl)phenyl]methyl]piperazine-2,3-dione is sourced from PubChem (CID 166103365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).