2-imino-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

C12H9N3OS2 — CID 1391250

IUPAC2-imino-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H9N3OS2/c13-11-15(10(16)7-17-11)12-14-9(6-18-12)8-4-2-1-3-5-8/h1-6,13H,7H2/b13-11-
InChIKeyMGUQDEVACYUXKA-QBFSEMIESA-N
MW275.36 g/mol
LogP2.82
Rot. Bonds2

About 2-imino-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

2-imino-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 1391250) has the molecular formula C12H9N3OS2 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-imino-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID1391250
Molecular FormulaC12H9N3OS2
Molecular Weight275.36 g/mol
Exact Mass275.02
IUPAC Name2-imino-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H9N3OS2/c13-11-15(10(16)7-17-11)12-14-9(6-18-12)8-4-2-1-3-5-8/h1-6,13H,7H2/b13-11-
InChIKeyMGUQDEVACYUXKA-QBFSEMIESA-N
XLogP2.82
TPSA57.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-phenylthiazole
CID 40302
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
2-Cinnamamido-4-phenylthiazole
CID 690181
N1-hydroxy-N8-(4-phenylthiazol-2-yl)octanediamide
CID 10383069
N-(4-Phenyl-1,3-thiazol-2-yl)-7-sulfanyl-heptanamide
CID 11427204
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 346935
2-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 813276
N-(4'-Methyl-2-(p-tolylamino)-[4,5'-bithiazol]-2'-yl)acetamide
CID 2898142
Dodecanamide, N-(4-phenyl-2-thiazolyl)-
CID 3054676
Ptach
CID 11395181
2-Chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 824089
N-methyl-4-phenylthiazol-2-amine
CID 824443

Frequently Asked Questions

What is the IUPAC name of 2-imino-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 1391250) is 2-imino-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-imino-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is MGUQDEVACYUXKA-QBFSEMIESA-N. The full InChI is InChI=1S/C12H9N3OS2/c13-11-15(10(16)7-17-11)12-14-9(6-18-12)8-4-2-1-3-5-8/h1-6,13H,7H2/b13-11-.
What are the key properties of 2-imino-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
2-imino-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 275.36 g/mol, XLogP of 2.82, 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-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1391250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).