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

C8H10N2OS — CID 3015940

IUPAC1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESCc1csc(N2CCCC2=O)n1
InChIInChI=1S/C8H10N2OS/c1-6-5-12-8(9-6)10-4-2-3-7(10)11/h5H,2-4H2,1H3
InChIKeySBHVIWWABYNDCX-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.58
Rot. Bonds1

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

1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one (PubChem CID 3015940) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one
PubChem CID3015940
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESCc1csc(N2CCCC2=O)n1
InChIInChI=1S/C8H10N2OS/c1-6-5-12-8(9-6)10-4-2-3-7(10)11/h5H,2-4H2,1H3
InChIKeySBHVIWWABYNDCX-UHFFFAOYSA-N
XLogP1.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one (CID 3015940) is 1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one is Cc1csc(N2CCCC2=O)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The InChIKey is SBHVIWWABYNDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-6-5-12-8(9-6)10-4-2-3-7(10)11/h5H,2-4H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one has a molecular weight of 182.25 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 3015940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).