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

C10H19NO3S — CID 15327106

IUPAC3-(2-hydroxy-3-methoxypropyl)-2-propan-2-yl-1,3-thiazolidin-4-one
SMILESCOCC(O)CN1C(=O)CSC1C(C)C
InChIInChI=1S/C10H19NO3S/c1-7(2)10-11(9(13)6-15-10)4-8(12)5-14-3/h7-8,10,12H,4-6H2,1-3H3
InChIKeyKKWGYDOBUCNZPP-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.55
Rot. Bonds5

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

3-(2-hydroxy-3-methoxypropyl)-2-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 15327106) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methoxypropyl)-2-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxy-3-methoxypropyl)-2-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID15327106
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name3-(2-hydroxy-3-methoxypropyl)-2-propan-2-yl-1,3-thiazolidin-4-one
SMILESCOCC(O)CN1C(=O)CSC1C(C)C
InChIInChI=1S/C10H19NO3S/c1-7(2)10-11(9(13)6-15-10)4-8(12)5-14-3/h7-8,10,12H,4-6H2,1-3H3
InChIKeyKKWGYDOBUCNZPP-UHFFFAOYSA-N
XLogP0.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methoxypropyl)-2-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-hydroxy-3-methoxypropyl)-2-propan-2-yl-1,3-thiazolidin-4-one (CID 15327106) is 3-(2-hydroxy-3-methoxypropyl)-2-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-hydroxy-3-methoxypropyl)-2-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-hydroxy-3-methoxypropyl)-2-propan-2-yl-1,3-thiazolidin-4-one is COCC(O)CN1C(=O)CSC1C(C)C.
What is the InChIKey of 3-(2-hydroxy-3-methoxypropyl)-2-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is KKWGYDOBUCNZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-7(2)10-11(9(13)6-15-10)4-8(12)5-14-3/h7-8,10,12H,4-6H2,1-3H3.
What are the key properties of 3-(2-hydroxy-3-methoxypropyl)-2-propan-2-yl-1,3-thiazolidin-4-one?
3-(2-hydroxy-3-methoxypropyl)-2-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 233.33 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methoxypropyl)-2-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 15327106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).