(4S)-4-propan-2-yl-1,3-thiazolidin-2-one

C6H11NOS — CID 130699200

IUPAC(4S)-4-propan-2-yl-1,3-thiazolidin-2-one
SMILESCC(C)[C@H]1CSC(=O)N1
InChIInChI=1S/C6H11NOS/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m1/s1
InChIKeyHWLLBFXGMGCOKR-RXMQYKEDSA-N
MW145.23 g/mol
LogP1.47
Rot. Bonds1

About (4S)-4-propan-2-yl-1,3-thiazolidin-2-one

(4S)-4-propan-2-yl-1,3-thiazolidin-2-one (PubChem CID 130699200) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-1,3-thiazolidin-2-one
PubChem CID130699200
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name(4S)-4-propan-2-yl-1,3-thiazolidin-2-one
SMILESCC(C)[C@H]1CSC(=O)N1
InChIInChI=1S/C6H11NOS/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m1/s1
InChIKeyHWLLBFXGMGCOKR-RXMQYKEDSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-methyl-1,3-thiazolidin-2-one
CID 18397191
4-Methyl-1,3-thiazolidin-2-one
CID 19362304
4,5-Dimethyl-1,3-thiazolidin-2-one
CID 13522003
4-Tert-butyl-1,3-thiazolidin-2-one
CID 20804994
4-Propan-2-yl-1,3-thiazolidine
CID 23588978
4-Propan-2-yl-1,3-thiazolidin-2-one
CID 57675157
5-(2-Methylpropyl)-1,3-thiazolidin-2-one
CID 57770918
(4R)-4-methyl-1,3-thiazolidin-2-one
CID 57909157
(4S)-4-ethyl-1,3-thiazolidin-2-one
CID 58779137
5-Tert-butyl-1,3-thiazolidin-2-one
CID 59464664
5-Ethyl-1,3-thiazolidin-2-one
CID 59868756
4-Ethyl-1,3-thiazolidin-2-one
CID 59921292

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-1,3-thiazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-1,3-thiazolidin-2-one (CID 130699200) is (4S)-4-propan-2-yl-1,3-thiazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-1,3-thiazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-1,3-thiazolidin-2-one is CC(C)[C@H]1CSC(=O)N1.
What is the InChIKey of (4S)-4-propan-2-yl-1,3-thiazolidin-2-one?
The InChIKey is HWLLBFXGMGCOKR-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11NOS/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-1,3-thiazolidin-2-one?
(4S)-4-propan-2-yl-1,3-thiazolidin-2-one has a molecular weight of 145.23 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-1,3-thiazolidin-2-one is sourced from PubChem (CID 130699200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).