2-amino-1,3-thiazolidin-4-one

C3H6N2OS — CID 15292580

IUPAC2-amino-1,3-thiazolidin-4-one
SMILESNC1NC(=O)CS1
InChIInChI=1S/C3H6N2OS/c4-3-5-2(6)1-7-3/h3H,1,4H2,(H,5,6)
InChIKeyLRIYFYUQOIQGQV-UHFFFAOYSA-N
MW118.16 g/mol
LogP-0.91
Rot. Bonds

About 2-amino-1,3-thiazolidin-4-one

2-amino-1,3-thiazolidin-4-one (PubChem CID 15292580) has the molecular formula C3H6N2OS and a molecular weight of 118.16 g/mol. Its IUPAC name is 2-amino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-amino-1,3-thiazolidin-4-one
PubChem CID15292580
Molecular FormulaC3H6N2OS
Molecular Weight118.16 g/mol
Exact Mass118.02
IUPAC Name2-amino-1,3-thiazolidin-4-one
SMILESNC1NC(=O)CS1
InChIInChI=1S/C3H6N2OS/c4-3-5-2(6)1-7-3/h3H,1,4H2,(H,5,6)
InChIKeyLRIYFYUQOIQGQV-UHFFFAOYSA-N
XLogP-0.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-thiazolidin-4-one?
The IUPAC name of 2-amino-1,3-thiazolidin-4-one (CID 15292580) is 2-amino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-amino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-amino-1,3-thiazolidin-4-one is NC1NC(=O)CS1.
What is the InChIKey of 2-amino-1,3-thiazolidin-4-one?
The InChIKey is LRIYFYUQOIQGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2OS/c4-3-5-2(6)1-7-3/h3H,1,4H2,(H,5,6).
What are the key properties of 2-amino-1,3-thiazolidin-4-one?
2-amino-1,3-thiazolidin-4-one has a molecular weight of 118.16 g/mol, XLogP of -0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-thiazolidin-4-one is sourced from PubChem (CID 15292580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).