(2E)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one

C10H11N3OS — CID 10560945

IUPAC(2E)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2/SCC(=O)N2C)n1
InChIInChI=1S/C10H11N3OS/c1-7-4-3-5-8(11-7)12-10-13(2)9(14)6-15-10/h3-5H,6H2,1-2H3/b12-10+
InChIKeyMHKNZSOTYCHYHX-ZRDIBKRKSA-N
MW221.28 g/mol
LogP1.58
Rot. Bonds1

About (2E)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one

(2E)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one (PubChem CID 10560945) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is (2E)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
PubChem CID10560945
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name(2E)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2/SCC(=O)N2C)n1
InChIInChI=1S/C10H11N3OS/c1-7-4-3-5-8(11-7)12-10-13(2)9(14)6-15-10/h3-5H,6H2,1-2H3/b12-10+
InChIKeyMHKNZSOTYCHYHX-ZRDIBKRKSA-N
XLogP1.58
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
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 (2E)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one (CID 10560945) is (2E)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one is Cc1cccc(/N=C2/SCC(=O)N2C)n1.
What is the InChIKey of (2E)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
The InChIKey is MHKNZSOTYCHYHX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7-4-3-5-8(11-7)12-10-13(2)9(14)6-15-10/h3-5H,6H2,1-2H3/b12-10+.
What are the key properties of (2E)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
(2E)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one has a molecular weight of 221.28 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10560945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).