5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one

C8H11N3OS — CID 155808847

IUPAC5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one
SMILESCc1cnc(NC2CCC(=O)N2)s1
InChIInChI=1S/C8H11N3OS/c1-5-4-9-8(13-5)11-6-2-3-7(12)10-6/h4,6H,2-3H2,1H3,(H,9,11)(H,10,12)
InChIKeyWQWXFNGTQFQTJX-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.10
Rot. Bonds2

About 5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one

5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one (PubChem CID 155808847) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one
PubChem CID155808847
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one
SMILESCc1cnc(NC2CCC(=O)N2)s1
InChIInChI=1S/C8H11N3OS/c1-5-4-9-8(13-5)11-6-2-3-7(12)10-6/h4,6H,2-3H2,1H3,(H,9,11)(H,10,12)
InChIKeyWQWXFNGTQFQTJX-UHFFFAOYSA-N
XLogP1.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one?
The IUPAC name of 5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one (CID 155808847) is 5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one is Cc1cnc(NC2CCC(=O)N2)s1.
What is the InChIKey of 5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one?
The InChIKey is WQWXFNGTQFQTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-5-4-9-8(13-5)11-6-2-3-7(12)10-6/h4,6H,2-3H2,1H3,(H,9,11)(H,10,12).
What are the key properties of 5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one?
5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one has a molecular weight of 197.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 155808847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).