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

C17H19N5O2S — CID 166103933

IUPAC1-cyclopentyl-4-[[5-(1,3-thiazol-2-yl)pyrimidin-2-yl]methyl]piperazine-2,3-dione
SMILESO=C1C(=O)N(C2CCCC2)CCN1Cc1ncc(-c2nccs2)cn1
InChIInChI=1S/C17H19N5O2S/c23-16-17(24)22(13-3-1-2-4-13)7-6-21(16)11-14-19-9-12(10-20-14)15-18-5-8-25-15/h5,8-10,13H,1-4,6-7,11H2
InChIKeyGIEUOKYLXKEBPK-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.71
Rot. Bonds4

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

1-cyclopentyl-4-[[5-(1,3-thiazol-2-yl)pyrimidin-2-yl]methyl]piperazine-2,3-dione (PubChem CID 166103933) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[5-(1,3-thiazol-2-yl)pyrimidin-2-yl]methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-cyclopentyl-4-[[5-(1,3-thiazol-2-yl)pyrimidin-2-yl]methyl]piperazine-2,3-dione
PubChem CID166103933
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name1-cyclopentyl-4-[[5-(1,3-thiazol-2-yl)pyrimidin-2-yl]methyl]piperazine-2,3-dione
SMILESO=C1C(=O)N(C2CCCC2)CCN1Cc1ncc(-c2nccs2)cn1
InChIInChI=1S/C17H19N5O2S/c23-16-17(24)22(13-3-1-2-4-13)7-6-21(16)11-14-19-9-12(10-20-14)15-18-5-8-25-15/h5,8-10,13H,1-4,6-7,11H2
InChIKeyGIEUOKYLXKEBPK-UHFFFAOYSA-N
XLogP1.71
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[[5-(1,3-thiazol-2-yl)pyrimidin-2-yl]methyl]piperazine-2,3-dione?
The IUPAC name of 1-cyclopentyl-4-[[5-(1,3-thiazol-2-yl)pyrimidin-2-yl]methyl]piperazine-2,3-dione (CID 166103933) is 1-cyclopentyl-4-[[5-(1,3-thiazol-2-yl)pyrimidin-2-yl]methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-cyclopentyl-4-[[5-(1,3-thiazol-2-yl)pyrimidin-2-yl]methyl]piperazine-2,3-dione?
The canonical SMILES for 1-cyclopentyl-4-[[5-(1,3-thiazol-2-yl)pyrimidin-2-yl]methyl]piperazine-2,3-dione is O=C1C(=O)N(C2CCCC2)CCN1Cc1ncc(-c2nccs2)cn1.
What is the InChIKey of 1-cyclopentyl-4-[[5-(1,3-thiazol-2-yl)pyrimidin-2-yl]methyl]piperazine-2,3-dione?
The InChIKey is GIEUOKYLXKEBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c23-16-17(24)22(13-3-1-2-4-13)7-6-21(16)11-14-19-9-12(10-20-14)15-18-5-8-25-15/h5,8-10,13H,1-4,6-7,11H2.
What are the key properties of 1-cyclopentyl-4-[[5-(1,3-thiazol-2-yl)pyrimidin-2-yl]methyl]piperazine-2,3-dione?
1-cyclopentyl-4-[[5-(1,3-thiazol-2-yl)pyrimidin-2-yl]methyl]piperazine-2,3-dione has a molecular weight of 357.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[5-(1,3-thiazol-2-yl)pyrimidin-2-yl]methyl]piperazine-2,3-dione is sourced from PubChem (CID 166103933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).