2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one

C10H10N2OS — CID 171383873

IUPAC2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SC(c2ccccc2)C(=O)N1C
InChIInChI=1S/C10H10N2OS/c1-12-9(13)8(14-10(12)11)7-5-3-2-4-6-7/h2-6,8,11H,1H3/b11-10-
InChIKeyQCCWMBPVBBDISJ-KHPPLWFESA-N
MW206.27 g/mol
LogP1.87
Rot. Bonds1

About 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one

2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one (PubChem CID 171383873) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one
PubChem CID171383873
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SC(c2ccccc2)C(=O)N1C
InChIInChI=1S/C10H10N2OS/c1-12-9(13)8(14-10(12)11)7-5-3-2-4-6-7/h2-6,8,11H,1H3/b11-10-
InChIKeyQCCWMBPVBBDISJ-KHPPLWFESA-N
XLogP1.87
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
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 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one (CID 171383873) is 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one is [H]/N=C1\SC(c2ccccc2)C(=O)N1C.
What is the InChIKey of 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one?
The InChIKey is QCCWMBPVBBDISJ-KHPPLWFESA-N. The full InChI is InChI=1S/C10H10N2OS/c1-12-9(13)8(14-10(12)11)7-5-3-2-4-6-7/h2-6,8,11H,1H3/b11-10-.
What are the key properties of 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one?
2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one has a molecular weight of 206.27 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-methyl-5-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 171383873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).