1-methyl-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)imidazolidin-4-one

C12H12N4OS — CID 119033028

IUPAC1-methyl-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)imidazolidin-4-one
SMILESCN1CC(=O)NC1c1cnc(-c2cccnc2)s1
InChIInChI=1S/C12H12N4OS/c1-16-7-10(17)15-11(16)9-6-14-12(18-9)8-3-2-4-13-5-8/h2-6,11H,7H2,1H3,(H,15,17)
InChIKeyNXYLXKUEBLCZBH-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.27
Rot. Bonds2

About 1-methyl-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)imidazolidin-4-one

1-methyl-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)imidazolidin-4-one (PubChem CID 119033028) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-methyl-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)imidazolidin-4-one.

Molecular Properties

Compound Name1-methyl-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)imidazolidin-4-one
PubChem CID119033028
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name1-methyl-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)imidazolidin-4-one
SMILESCN1CC(=O)NC1c1cnc(-c2cccnc2)s1
InChIInChI=1S/C12H12N4OS/c1-16-7-10(17)15-11(16)9-6-14-12(18-9)8-3-2-4-13-5-8/h2-6,11H,7H2,1H3,(H,15,17)
InChIKeyNXYLXKUEBLCZBH-UHFFFAOYSA-N
XLogP1.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)imidazolidin-4-one?
The IUPAC name of 1-methyl-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)imidazolidin-4-one (CID 119033028) is 1-methyl-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)imidazolidin-4-one.
What is the SMILES notation for 1-methyl-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)imidazolidin-4-one?
The canonical SMILES for 1-methyl-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)imidazolidin-4-one is CN1CC(=O)NC1c1cnc(-c2cccnc2)s1.
What is the InChIKey of 1-methyl-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)imidazolidin-4-one?
The InChIKey is NXYLXKUEBLCZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-16-7-10(17)15-11(16)9-6-14-12(18-9)8-3-2-4-13-5-8/h2-6,11H,7H2,1H3,(H,15,17).
What are the key properties of 1-methyl-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)imidazolidin-4-one?
1-methyl-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)imidazolidin-4-one has a molecular weight of 260.32 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)imidazolidin-4-one is sourced from PubChem (CID 119033028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).