5-(1,3-thiazol-2-ylamino)pyrrolidin-2-one

C7H9N3OS — CID 567575

IUPAC5-(1,3-thiazol-2-ylamino)pyrrolidin-2-one
SMILESO=C1CCC(Nc2nccs2)N1
InChIInChI=1S/C7H9N3OS/c11-6-2-1-5(9-6)10-7-8-3-4-12-7/h3-5H,1-2H2,(H,8,10)(H,9,11)
InChIKeyXJIVCMAYEKYLJH-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.79
Rot. Bonds2

About 5-(1,3-thiazol-2-ylamino)pyrrolidin-2-one

5-(1,3-thiazol-2-ylamino)pyrrolidin-2-one (PubChem CID 567575) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 5-(1,3-thiazol-2-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(1,3-thiazol-2-ylamino)pyrrolidin-2-one
PubChem CID567575
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name5-(1,3-thiazol-2-ylamino)pyrrolidin-2-one
SMILESO=C1CCC(Nc2nccs2)N1
InChIInChI=1S/C7H9N3OS/c11-6-2-1-5(9-6)10-7-8-3-4-12-7/h3-5H,1-2H2,(H,8,10)(H,9,11)
InChIKeyXJIVCMAYEKYLJH-UHFFFAOYSA-N
XLogP0.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-2-ylamino)pyrrolidin-2-one?
The IUPAC name of 5-(1,3-thiazol-2-ylamino)pyrrolidin-2-one (CID 567575) is 5-(1,3-thiazol-2-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 5-(1,3-thiazol-2-ylamino)pyrrolidin-2-one?
The canonical SMILES for 5-(1,3-thiazol-2-ylamino)pyrrolidin-2-one is O=C1CCC(Nc2nccs2)N1.
What is the InChIKey of 5-(1,3-thiazol-2-ylamino)pyrrolidin-2-one?
The InChIKey is XJIVCMAYEKYLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c11-6-2-1-5(9-6)10-7-8-3-4-12-7/h3-5H,1-2H2,(H,8,10)(H,9,11).
What are the key properties of 5-(1,3-thiazol-2-ylamino)pyrrolidin-2-one?
5-(1,3-thiazol-2-ylamino)pyrrolidin-2-one has a molecular weight of 183.24 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-2-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 567575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).