3-methyl-2-phenylimino-1,3-thiazolidin-4-one

C10H10N2OS — CID 1494947

IUPAC3-methyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCN1C(=O)CS/C1=N\c1ccccc1
InChIInChI=1S/C10H10N2OS/c1-12-9(13)7-14-10(12)11-8-5-3-2-4-6-8/h2-6H,7H2,1H3/b11-10-
InChIKeySOXGCENCQVQSJB-KHPPLWFESA-N
MW206.27 g/mol
LogP1.88
Rot. Bonds1

About 3-methyl-2-phenylimino-1,3-thiazolidin-4-one

3-methyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 1494947) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-methyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-methyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID1494947
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name3-methyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCN1C(=O)CS/C1=N\c1ccccc1
InChIInChI=1S/C10H10N2OS/c1-12-9(13)7-14-10(12)11-8-5-3-2-4-6-8/h2-6H,7H2,1H3/b11-10-
InChIKeySOXGCENCQVQSJB-KHPPLWFESA-N
XLogP1.88
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-methyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3-methyl-2-phenylimino-1,3-thiazolidin-4-one (CID 1494947) is 3-methyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-methyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-methyl-2-phenylimino-1,3-thiazolidin-4-one is CN1C(=O)CS/C1=N\c1ccccc1.
What is the InChIKey of 3-methyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is SOXGCENCQVQSJB-KHPPLWFESA-N. The full InChI is InChI=1S/C10H10N2OS/c1-12-9(13)7-14-10(12)11-8-5-3-2-4-6-8/h2-6H,7H2,1H3/b11-10-.
What are the key properties of 3-methyl-2-phenylimino-1,3-thiazolidin-4-one?
3-methyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 206.27 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1494947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).