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

C10H9N3OS — CID 144574108

IUPAC(5Z)-2-methylidene-5-[(2-methylpyrimidin-4-yl)methylidene]-1,3-thiazolidin-4-one
SMILESC=c1[nH]c(=O)/c(=C/c2ccnc(C)n2)s1
InChIInChI=1S/C10H9N3OS/c1-6-11-4-3-8(12-6)5-9-10(14)13-7(2)15-9/h3-5H,2H2,1H3,(H,13,14)/b9-5-
InChIKeyXONKIEXRFZWTCI-UITAMQMPSA-N
MW219.27 g/mol
LogP-0.23
Rot. Bonds1

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

(5Z)-2-methylidene-5-[(2-methylpyrimidin-4-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 144574108) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is (5Z)-2-methylidene-5-[(2-methylpyrimidin-4-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-methylidene-5-[(2-methylpyrimidin-4-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID144574108
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name(5Z)-2-methylidene-5-[(2-methylpyrimidin-4-yl)methylidene]-1,3-thiazolidin-4-one
SMILESC=c1[nH]c(=O)/c(=C/c2ccnc(C)n2)s1
InChIInChI=1S/C10H9N3OS/c1-6-11-4-3-8(12-6)5-9-10(14)13-7(2)15-9/h3-5H,2H2,1H3,(H,13,14)/b9-5-
InChIKeyXONKIEXRFZWTCI-UITAMQMPSA-N
XLogP-0.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.23
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-methylpyrimidin-4-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-methylidene-5-[(2-methylpyrimidin-4-yl)methylidene]-1,3-thiazolidin-4-one (CID 144574108) is (5Z)-2-methylidene-5-[(2-methylpyrimidin-4-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-methylidene-5-[(2-methylpyrimidin-4-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-methylidene-5-[(2-methylpyrimidin-4-yl)methylidene]-1,3-thiazolidin-4-one is C=c1[nH]c(=O)/c(=C/c2ccnc(C)n2)s1.
What is the InChIKey of (5Z)-2-methylidene-5-[(2-methylpyrimidin-4-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is XONKIEXRFZWTCI-UITAMQMPSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-6-11-4-3-8(12-6)5-9-10(14)13-7(2)15-9/h3-5H,2H2,1H3,(H,13,14)/b9-5-.
What are the key properties of (5Z)-2-methylidene-5-[(2-methylpyrimidin-4-yl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-methylidene-5-[(2-methylpyrimidin-4-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 219.27 g/mol, XLogP of -0.23, 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-methylpyrimidin-4-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 144574108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).