(5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one

C8H12N2O2S — CID 20830000

IUPAC(5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)C2NCCS2)N1
InChIInChI=1S/C8H12N2O2S/c11-6-2-1-5(10-6)7(12)8-9-3-4-13-8/h5,8-9H,1-4H2,(H,10,11)/t5-,8?/m0/s1
InChIKeyXPGDWCLHVJTZKG-NTFOPCPOSA-N
MW200.26 g/mol
LogP-0.50
Rot. Bonds2

About (5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one

(5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one (PubChem CID 20830000) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is (5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one
PubChem CID20830000
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name(5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)C2NCCS2)N1
InChIInChI=1S/C8H12N2O2S/c11-6-2-1-5(10-6)7(12)8-9-3-4-13-8/h5,8-9H,1-4H2,(H,10,11)/t5-,8?/m0/s1
InChIKeyXPGDWCLHVJTZKG-NTFOPCPOSA-N
XLogP-0.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one (CID 20830000) is (5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one is O=C1CC[C@@H](C(=O)C2NCCS2)N1.
What is the InChIKey of (5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one?
The InChIKey is XPGDWCLHVJTZKG-NTFOPCPOSA-N. The full InChI is InChI=1S/C8H12N2O2S/c11-6-2-1-5(10-6)7(12)8-9-3-4-13-8/h5,8-9H,1-4H2,(H,10,11)/t5-,8?/m0/s1.
What are the key properties of (5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one?
(5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one has a molecular weight of 200.26 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 20830000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).