3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide

C9H13N3O3S — CID 10263810

IUPAC3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESNC(=O)C1CSCN1C(=O)C1CCC(=O)N1
InChIInChI=1S/C9H13N3O3S/c10-8(14)6-3-16-4-12(6)9(15)5-1-2-7(13)11-5/h5-6H,1-4H2,(H2,10,14)(H,11,13)
InChIKeyYZLFRIIOJQMELY-UHFFFAOYSA-N
MW243.29 g/mol
LogP-1.35
Rot. Bonds2

About 3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide

3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 10263810) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID10263810
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESNC(=O)C1CSCN1C(=O)C1CCC(=O)N1
InChIInChI=1S/C9H13N3O3S/c10-8(14)6-3-16-4-12(6)9(15)5-1-2-7(13)11-5/h5-6H,1-4H2,(H2,10,14)(H,11,13)
InChIKeyYZLFRIIOJQMELY-UHFFFAOYSA-N
XLogP-1.35
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 10263810) is 3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide is NC(=O)C1CSCN1C(=O)C1CCC(=O)N1.
What is the InChIKey of 3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is YZLFRIIOJQMELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c10-8(14)6-3-16-4-12(6)9(15)5-1-2-7(13)11-5/h5-6H,1-4H2,(H2,10,14)(H,11,13).
What are the key properties of 3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 243.29 g/mol, XLogP of -1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 10263810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).