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

C9H12N2OS — CID 141271685

IUPAC1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESCc1csc(C2CCC(=O)N2C)n1
InChIInChI=1S/C9H12N2OS/c1-6-5-13-9(10-6)7-3-4-8(12)11(7)2/h5,7H,3-4H2,1-2H3
InChIKeyYAYXHSAAGVVMIN-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.74
Rot. Bonds1

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

1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one (PubChem CID 141271685) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one
PubChem CID141271685
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESCc1csc(C2CCC(=O)N2C)n1
InChIInChI=1S/C9H12N2OS/c1-6-5-13-9(10-6)7-3-4-8(12)11(7)2/h5,7H,3-4H2,1-2H3
InChIKeyYAYXHSAAGVVMIN-UHFFFAOYSA-N
XLogP1.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one (CID 141271685) is 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one is Cc1csc(C2CCC(=O)N2C)n1.
What is the InChIKey of 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The InChIKey is YAYXHSAAGVVMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-5-13-9(10-6)7-3-4-8(12)11(7)2/h5,7H,3-4H2,1-2H3.
What are the key properties of 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one has a molecular weight of 196.27 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 141271685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).