1,3-thiazolidin-3-yl-[(4R)-1,3-thiazolidin-4-yl]methanone

C7H12N2OS2 — CID 54217794

IUPAC1,3-thiazolidin-3-yl-[(4R)-1,3-thiazolidin-4-yl]methanone
SMILESO=C([C@@H]1CSCN1)N1CCSC1
InChIInChI=1S/C7H12N2OS2/c10-7(6-3-12-4-8-6)9-1-2-11-5-9/h6,8H,1-5H2/t6-/m0/s1
InChIKeyQAKMVSQDMSDINT-LURJTMIESA-N
MW204.32 g/mol
LogP0.18
Rot. Bonds1

About 1,3-thiazolidin-3-yl-[(4R)-1,3-thiazolidin-4-yl]methanone

1,3-thiazolidin-3-yl-[(4R)-1,3-thiazolidin-4-yl]methanone (PubChem CID 54217794) has the molecular formula C7H12N2OS2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1,3-thiazolidin-3-yl-[(4R)-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name1,3-thiazolidin-3-yl-[(4R)-1,3-thiazolidin-4-yl]methanone
PubChem CID54217794
Molecular FormulaC7H12N2OS2
Molecular Weight204.32 g/mol
Exact Mass204.04
IUPAC Name1,3-thiazolidin-3-yl-[(4R)-1,3-thiazolidin-4-yl]methanone
SMILESO=C([C@@H]1CSCN1)N1CCSC1
InChIInChI=1S/C7H12N2OS2/c10-7(6-3-12-4-8-6)9-1-2-11-5-9/h6,8H,1-5H2/t6-/m0/s1
InChIKeyQAKMVSQDMSDINT-LURJTMIESA-N
XLogP0.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazolidin-3-yl-[(4R)-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of 1,3-thiazolidin-3-yl-[(4R)-1,3-thiazolidin-4-yl]methanone (CID 54217794) is 1,3-thiazolidin-3-yl-[(4R)-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for 1,3-thiazolidin-3-yl-[(4R)-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for 1,3-thiazolidin-3-yl-[(4R)-1,3-thiazolidin-4-yl]methanone is O=C([C@@H]1CSCN1)N1CCSC1.
What is the InChIKey of 1,3-thiazolidin-3-yl-[(4R)-1,3-thiazolidin-4-yl]methanone?
The InChIKey is QAKMVSQDMSDINT-LURJTMIESA-N. The full InChI is InChI=1S/C7H12N2OS2/c10-7(6-3-12-4-8-6)9-1-2-11-5-9/h6,8H,1-5H2/t6-/m0/s1.
What are the key properties of 1,3-thiazolidin-3-yl-[(4R)-1,3-thiazolidin-4-yl]methanone?
1,3-thiazolidin-3-yl-[(4R)-1,3-thiazolidin-4-yl]methanone has a molecular weight of 204.32 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazolidin-3-yl-[(4R)-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 54217794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).