(5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one

C9H8N2OS2 — CID 70837535

IUPAC(5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one
SMILESC=c1[nH]c(=O)/c(=C/c2cnc(C)s2)s1
InChIInChI=1S/C9H8N2OS2/c1-5-10-4-7(13-5)3-8-9(12)11-6(2)14-8/h3-4H,2H2,1H3,(H,11,12)/b8-3-
InChIKeyNYPLPHHPRPJFBF-BAQGIRSFSA-N
MW224.31 g/mol
LogP0.44
Rot. Bonds1

About (5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 70837535) has the molecular formula C9H8N2OS2 and a molecular weight of 224.31 g/mol. Its IUPAC name is (5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID70837535
Molecular FormulaC9H8N2OS2
Molecular Weight224.31 g/mol
Exact Mass224.01
IUPAC Name(5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one
SMILESC=c1[nH]c(=O)/c(=C/c2cnc(C)s2)s1
InChIInChI=1S/C9H8N2OS2/c1-5-10-4-7(13-5)3-8-9(12)11-6(2)14-8/h3-4H,2H2,1H3,(H,11,12)/b8-3-
InChIKeyNYPLPHHPRPJFBF-BAQGIRSFSA-N
XLogP0.44
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one (CID 70837535) is (5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one is C=c1[nH]c(=O)/c(=C/c2cnc(C)s2)s1.
What is the InChIKey of (5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is NYPLPHHPRPJFBF-BAQGIRSFSA-N. The full InChI is InChI=1S/C9H8N2OS2/c1-5-10-4-7(13-5)3-8-9(12)11-6(2)14-8/h3-4H,2H2,1H3,(H,11,12)/b8-3-.
What are the key properties of (5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 224.31 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 70837535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).