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

C8H10N2OS — CID 130580485

IUPAC4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one
SMILESCc1ncc(C2CNC(=O)C2)s1
InChIInChI=1S/C8H10N2OS/c1-5-9-4-7(12-5)6-2-8(11)10-3-6/h4,6H,2-3H2,1H3,(H,10,11)
InChIKeyLUXYTGKCXSDGEC-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.06
Rot. Bonds1

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

4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one (PubChem CID 130580485) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one
PubChem CID130580485
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one
SMILESCc1ncc(C2CNC(=O)C2)s1
InChIInChI=1S/C8H10N2OS/c1-5-9-4-7(12-5)6-2-8(11)10-3-6/h4,6H,2-3H2,1H3,(H,10,11)
InChIKeyLUXYTGKCXSDGEC-UHFFFAOYSA-N
XLogP1.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one (CID 130580485) is 4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one is Cc1ncc(C2CNC(=O)C2)s1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one?
The InChIKey is LUXYTGKCXSDGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-5-9-4-7(12-5)6-2-8(11)10-3-6/h4,6H,2-3H2,1H3,(H,10,11).
What are the key properties of 4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one?
4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one has a molecular weight of 182.25 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 130580485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).