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

C17H19N5O2S — CID 138992176

IUPAC3-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
SMILESCC1(c2cnccn2)NC(=O)N(Cc2csc(C3CCCC3)n2)C1=O
InChIInChI=1S/C17H19N5O2S/c1-17(13-8-18-6-7-19-13)15(23)22(16(24)21-17)9-12-10-25-14(20-12)11-4-2-3-5-11/h6-8,10-11H,2-5,9H2,1H3,(H,21,24)
InChIKeyJCMHOTJSMVFJAE-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.56
Rot. Bonds4

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

3-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione (PubChem CID 138992176) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 3-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
PubChem CID138992176
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name3-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
SMILESCC1(c2cnccn2)NC(=O)N(Cc2csc(C3CCCC3)n2)C1=O
InChIInChI=1S/C17H19N5O2S/c1-17(13-8-18-6-7-19-13)15(23)22(16(24)21-17)9-12-10-25-14(20-12)11-4-2-3-5-11/h6-8,10-11H,2-5,9H2,1H3,(H,21,24)
InChIKeyJCMHOTJSMVFJAE-UHFFFAOYSA-N
XLogP2.56
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione (CID 138992176) is 3-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione is CC1(c2cnccn2)NC(=O)N(Cc2csc(C3CCCC3)n2)C1=O.
What is the InChIKey of 3-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione?
The InChIKey is JCMHOTJSMVFJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-17(13-8-18-6-7-19-13)15(23)22(16(24)21-17)9-12-10-25-14(20-12)11-4-2-3-5-11/h6-8,10-11H,2-5,9H2,1H3,(H,21,24).
What are the key properties of 3-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione?
3-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione has a molecular weight of 357.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 138992176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).