(2Z)-5-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

C7H7N3OS2 — CID 137221381

IUPAC(2Z)-5-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESCC1S/C(=N\c2nccs2)NC1=O
InChIInChI=1S/C7H7N3OS2/c1-4-5(11)9-7(13-4)10-6-8-2-3-12-6/h2-4H,1H3,(H,8,9,10,11)
InChIKeyRBZQQKQFJDMCMP-UHFFFAOYSA-N
MW213.29 g/mol
LogP1.38
Rot. Bonds1

About (2Z)-5-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

(2Z)-5-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (PubChem CID 137221381) has the molecular formula C7H7N3OS2 and a molecular weight of 213.29 g/mol. Its IUPAC name is (2Z)-5-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
PubChem CID137221381
Molecular FormulaC7H7N3OS2
Molecular Weight213.29 g/mol
Exact Mass213.00
IUPAC Name(2Z)-5-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESCC1S/C(=N\c2nccs2)NC1=O
InChIInChI=1S/C7H7N3OS2/c1-4-5(11)9-7(13-4)10-6-8-2-3-12-6/h2-4H,1H3,(H,8,9,10,11)
InChIKeyRBZQQKQFJDMCMP-UHFFFAOYSA-N
XLogP1.38
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 51.38
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 (2Z)-5-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (CID 137221381) is (2Z)-5-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is CC1S/C(=N\c2nccs2)NC1=O.
What is the InChIKey of (2Z)-5-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is RBZQQKQFJDMCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS2/c1-4-5(11)9-7(13-4)10-6-8-2-3-12-6/h2-4H,1H3,(H,8,9,10,11).
What are the key properties of (2Z)-5-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
(2Z)-5-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 213.29 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 137221381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).