2-(aminomethylimino)-1,3-thiazolidin-4-one

C4H7N3OS — CID 173426271

IUPAC2-(aminomethylimino)-1,3-thiazolidin-4-one
SMILESNCN=C1NC(=O)CS1
InChIInChI=1S/C4H7N3OS/c5-2-6-4-7-3(8)1-9-4/h1-2,5H2,(H,6,7,8)
InChIKeyTXBFIPTYVVMTLG-UHFFFAOYSA-N
MW145.19 g/mol
LogP-0.88
Rot. Bonds1

About 2-(aminomethylimino)-1,3-thiazolidin-4-one

2-(aminomethylimino)-1,3-thiazolidin-4-one (PubChem CID 173426271) has the molecular formula C4H7N3OS and a molecular weight of 145.19 g/mol. Its IUPAC name is 2-(aminomethylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(aminomethylimino)-1,3-thiazolidin-4-one
PubChem CID173426271
Molecular FormulaC4H7N3OS
Molecular Weight145.19 g/mol
Exact Mass145.03
IUPAC Name2-(aminomethylimino)-1,3-thiazolidin-4-one
SMILESNCN=C1NC(=O)CS1
InChIInChI=1S/C4H7N3OS/c5-2-6-4-7-3(8)1-9-4/h1-2,5H2,(H,6,7,8)
InChIKeyTXBFIPTYVVMTLG-UHFFFAOYSA-N
XLogP-0.88
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethylimino)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(aminomethylimino)-1,3-thiazolidin-4-one (CID 173426271) is 2-(aminomethylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(aminomethylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(aminomethylimino)-1,3-thiazolidin-4-one is NCN=C1NC(=O)CS1.
What is the InChIKey of 2-(aminomethylimino)-1,3-thiazolidin-4-one?
The InChIKey is TXBFIPTYVVMTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3OS/c5-2-6-4-7-3(8)1-9-4/h1-2,5H2,(H,6,7,8).
What are the key properties of 2-(aminomethylimino)-1,3-thiazolidin-4-one?
2-(aminomethylimino)-1,3-thiazolidin-4-one has a molecular weight of 145.19 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 173426271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).