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

C16H18N4O2S — CID 75442393

IUPAC5-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCc1nc(CCCN2C(=O)NC(C)(c3cccnc3)C2=O)cs1
InChIInChI=1S/C16H18N4O2S/c1-11-18-13(10-23-11)6-4-8-20-14(21)16(2,19-15(20)22)12-5-3-7-17-9-12/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,19,22)
InChIKeyJEFQTWJGRKEKLO-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.25
Rot. Bonds5

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

5-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 75442393) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 5-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID75442393
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name5-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCc1nc(CCCN2C(=O)NC(C)(c3cccnc3)C2=O)cs1
InChIInChI=1S/C16H18N4O2S/c1-11-18-13(10-23-11)6-4-8-20-14(21)16(2,19-15(20)22)12-5-3-7-17-9-12/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,19,22)
InChIKeyJEFQTWJGRKEKLO-UHFFFAOYSA-N
XLogP2.25
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione (CID 75442393) is 5-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione is Cc1nc(CCCN2C(=O)NC(C)(c3cccnc3)C2=O)cs1.
What is the InChIKey of 5-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is JEFQTWJGRKEKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-11-18-13(10-23-11)6-4-8-20-14(21)16(2,19-15(20)22)12-5-3-7-17-9-12/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,19,22).
What are the key properties of 5-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
5-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 330.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 75442393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).