carbonic acid;1-(1,3-thiazolidin-3-yl)ethanone

C6H11NO4S — CID 67452447

IUPACcarbonic acid;1-(1,3-thiazolidin-3-yl)ethanone
SMILESCC(=O)N1CCSC1.O=C(O)O
InChIInChI=1S/C5H9NOS.CH2O3/c1-5(7)6-2-3-8-4-6;2-1(3)4/h2-4H2,1H3;(H2,2,3,4)
InChIKeyPTSAPDMPASVIQJ-UHFFFAOYSA-N
MW193.22 g/mol
LogP0.76
Rot. Bonds

About carbonic acid;1-(1,3-thiazolidin-3-yl)ethanone

carbonic acid;1-(1,3-thiazolidin-3-yl)ethanone (PubChem CID 67452447) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is carbonic acid;1-(1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Namecarbonic acid;1-(1,3-thiazolidin-3-yl)ethanone
PubChem CID67452447
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Namecarbonic acid;1-(1,3-thiazolidin-3-yl)ethanone
SMILESCC(=O)N1CCSC1.O=C(O)O
InChIInChI=1S/C5H9NOS.CH2O3/c1-5(7)6-2-3-8-4-6;2-1(3)4/h2-4H2,1H3;(H2,2,3,4)
InChIKeyPTSAPDMPASVIQJ-UHFFFAOYSA-N
XLogP0.76
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-(1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of carbonic acid;1-(1,3-thiazolidin-3-yl)ethanone (CID 67452447) is carbonic acid;1-(1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for carbonic acid;1-(1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for carbonic acid;1-(1,3-thiazolidin-3-yl)ethanone is CC(=O)N1CCSC1.O=C(O)O.
What is the InChIKey of carbonic acid;1-(1,3-thiazolidin-3-yl)ethanone?
The InChIKey is PTSAPDMPASVIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS.CH2O3/c1-5(7)6-2-3-8-4-6;2-1(3)4/h2-4H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;1-(1,3-thiazolidin-3-yl)ethanone?
carbonic acid;1-(1,3-thiazolidin-3-yl)ethanone has a molecular weight of 193.22 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-(1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 67452447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).