4-[[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]-3H-1,3-thiazol-2-one

C11H17N3O2S — CID 114181804

IUPAC4-[[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)NC1CCN(Cc2csc(=O)[nH]2)C1=O
InChIInChI=1S/C11H17N3O2S/c1-7(2)12-9-3-4-14(10(9)15)5-8-6-17-11(16)13-8/h6-7,9,12H,3-5H2,1-2H3,(H,13,16)
InChIKeyJIIBHGBJAWTCDR-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.54
Rot. Bonds4

About 4-[[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]-3H-1,3-thiazol-2-one

4-[[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181804) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-[[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]-3H-1,3-thiazol-2-one
PubChem CID114181804
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-[[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)NC1CCN(Cc2csc(=O)[nH]2)C1=O
InChIInChI=1S/C11H17N3O2S/c1-7(2)12-9-3-4-14(10(9)15)5-8-6-17-11(16)13-8/h6-7,9,12H,3-5H2,1-2H3,(H,13,16)
InChIKeyJIIBHGBJAWTCDR-UHFFFAOYSA-N
XLogP0.54
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]-3H-1,3-thiazol-2-one (CID 114181804) is 4-[[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]-3H-1,3-thiazol-2-one is CC(C)NC1CCN(Cc2csc(=O)[nH]2)C1=O.
What is the InChIKey of 4-[[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is JIIBHGBJAWTCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7(2)12-9-3-4-14(10(9)15)5-8-6-17-11(16)13-8/h6-7,9,12H,3-5H2,1-2H3,(H,13,16).
What are the key properties of 4-[[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]-3H-1,3-thiazol-2-one?
4-[[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 255.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).