2-butyl-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one

C10H19NO3S — CID 23850187

IUPAC2-butyl-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one
SMILESCCCCC1SCC(=O)N1C[C@H](O)CO
InChIInChI=1S/C10H19NO3S/c1-2-3-4-10-11(5-8(13)6-12)9(14)7-15-10/h8,10,12-13H,2-7H2,1H3/t8-,10?/m0/s1
InChIKeyBVRPBAYGSINIHQ-PEHGTWAWSA-N
MW233.33 g/mol
LogP0.43
Rot. Bonds6

About 2-butyl-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one

2-butyl-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one (PubChem CID 23850187) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-butyl-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-butyl-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one
PubChem CID23850187
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-butyl-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one
SMILESCCCCC1SCC(=O)N1C[C@H](O)CO
InChIInChI=1S/C10H19NO3S/c1-2-3-4-10-11(5-8(13)6-12)9(14)7-15-10/h8,10,12-13H,2-7H2,1H3/t8-,10?/m0/s1
InChIKeyBVRPBAYGSINIHQ-PEHGTWAWSA-N
XLogP0.43
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-butyl-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one (CID 23850187) is 2-butyl-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-butyl-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-butyl-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one is CCCCC1SCC(=O)N1C[C@H](O)CO.
What is the InChIKey of 2-butyl-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one?
The InChIKey is BVRPBAYGSINIHQ-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-2-3-4-10-11(5-8(13)6-12)9(14)7-15-10/h8,10,12-13H,2-7H2,1H3/t8-,10?/m0/s1.
What are the key properties of 2-butyl-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one?
2-butyl-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one has a molecular weight of 233.33 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 23850187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).