(2E)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

C6H5N3OS2 — CID 135514034

IUPAC(2E)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/c2nccs2)N1
InChIInChI=1S/C6H5N3OS2/c10-4-3-12-6(8-4)9-5-7-1-2-11-5/h1-2H,3H2,(H,7,8,9,10)
InChIKeyPAMTUKFXWYOBQE-UHFFFAOYSA-N
MW199.26 g/mol
LogP0.99
Rot. Bonds1

About (2E)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

(2E)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (PubChem CID 135514034) has the molecular formula C6H5N3OS2 and a molecular weight of 199.26 g/mol. Its IUPAC name is (2E)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
PubChem CID135514034
Molecular FormulaC6H5N3OS2
Molecular Weight199.26 g/mol
Exact Mass198.99
IUPAC Name(2E)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/c2nccs2)N1
InChIInChI=1S/C6H5N3OS2/c10-4-3-12-6(8-4)9-5-7-1-2-11-5/h1-2H,3H2,(H,7,8,9,10)
InChIKeyPAMTUKFXWYOBQE-UHFFFAOYSA-N
XLogP0.99
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 50.99
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-Acetamidothiazole
CID 17625
2-chloro-N-(1,3-thiazol-2-yl)acetamide
CID 226883
2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 1887129
2-cyano-N-(1,3-thiazol-2-yl)acetamide
CID 693166
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
CID 24980829
O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate
CID 2345751
2-(2-Hydroxy-ethylsulfanyl)-N-thiazol-2-yl-acetamide
CID 652098
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 649689
2,2,2-trifluoro-N-(1,3-thiazol-2-yl)acetamide
CID 267659
4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide
CID 4275223
2-Imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 607976
2-Amino-N-(thiazol-2-yl)acetamide
CID 20558664

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (CID 135514034) is (2E)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is O=C1CS/C(=N/c2nccs2)N1.
What is the InChIKey of (2E)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is PAMTUKFXWYOBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS2/c10-4-3-12-6(8-4)9-5-7-1-2-11-5/h1-2H,3H2,(H,7,8,9,10).
What are the key properties of (2E)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
(2E)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 199.26 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135514034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).