2-imino-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one

C13H11N3OS2 — CID 1388707

IUPAC2-imino-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C13H11N3OS2/c1-8-2-4-9(5-3-8)10-6-19-13(15-10)16-11(17)7-18-12(16)14/h2-6,14H,7H2,1H3/b14-12-
InChIKeyOSBXCVRRQPHWLF-OWBHPGMISA-N
MW289.38 g/mol
LogP3.13
Rot. Bonds2

About 2-imino-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one

2-imino-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one (PubChem CID 1388707) has the molecular formula C13H11N3OS2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-imino-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
PubChem CID1388707
Molecular FormulaC13H11N3OS2
Molecular Weight289.38 g/mol
Exact Mass289.03
IUPAC Name2-imino-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C13H11N3OS2/c1-8-2-4-9(5-3-8)10-6-19-13(15-10)16-11(17)7-18-12(16)14/h2-6,14H,7H2,1H3/b14-12-
InChIKeyOSBXCVRRQPHWLF-OWBHPGMISA-N
XLogP3.13
TPSA57.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one (CID 1388707) is 2-imino-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1nc(-c2ccc(C)cc2)cs1.
What is the InChIKey of 2-imino-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
The InChIKey is OSBXCVRRQPHWLF-OWBHPGMISA-N. The full InChI is InChI=1S/C13H11N3OS2/c1-8-2-4-9(5-3-8)10-6-19-13(15-10)16-11(17)7-18-12(16)14/h2-6,14H,7H2,1H3/b14-12-.
What are the key properties of 2-imino-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
2-imino-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one has a molecular weight of 289.38 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 1388707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).