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

C12H14N2OS2 — CID 70837536

IUPAC(5Z)-5-[(2-tert-butyl-1,3-thiazol-5-yl)methylidene]-2-methylidene-1,3-thiazolidin-4-one
SMILESC=c1[nH]c(=O)/c(=C/c2cnc(C(C)(C)C)s2)s1
InChIInChI=1S/C12H14N2OS2/c1-7-14-10(15)9(16-7)5-8-6-13-11(17-8)12(2,3)4/h5-6H,1H2,2-4H3,(H,14,15)/b9-5-
InChIKeyNGGXELXJGGAATF-UITAMQMPSA-N
MW266.39 g/mol
LogP1.43
Rot. Bonds1

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

(5Z)-5-[(2-tert-butyl-1,3-thiazol-5-yl)methylidene]-2-methylidene-1,3-thiazolidin-4-one (PubChem CID 70837536) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (5Z)-5-[(2-tert-butyl-1,3-thiazol-5-yl)methylidene]-2-methylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-tert-butyl-1,3-thiazol-5-yl)methylidene]-2-methylidene-1,3-thiazolidin-4-one
PubChem CID70837536
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name(5Z)-5-[(2-tert-butyl-1,3-thiazol-5-yl)methylidene]-2-methylidene-1,3-thiazolidin-4-one
SMILESC=c1[nH]c(=O)/c(=C/c2cnc(C(C)(C)C)s2)s1
InChIInChI=1S/C12H14N2OS2/c1-7-14-10(15)9(16-7)5-8-6-13-11(17-8)12(2,3)4/h5-6H,1H2,2-4H3,(H,14,15)/b9-5-
InChIKeyNGGXELXJGGAATF-UITAMQMPSA-N
XLogP1.43
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-tert-butyl-1,3-thiazol-5-yl)methylidene]-2-methylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-tert-butyl-1,3-thiazol-5-yl)methylidene]-2-methylidene-1,3-thiazolidin-4-one (CID 70837536) is (5Z)-5-[(2-tert-butyl-1,3-thiazol-5-yl)methylidene]-2-methylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-tert-butyl-1,3-thiazol-5-yl)methylidene]-2-methylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-tert-butyl-1,3-thiazol-5-yl)methylidene]-2-methylidene-1,3-thiazolidin-4-one is C=c1[nH]c(=O)/c(=C/c2cnc(C(C)(C)C)s2)s1.
What is the InChIKey of (5Z)-5-[(2-tert-butyl-1,3-thiazol-5-yl)methylidene]-2-methylidene-1,3-thiazolidin-4-one?
The InChIKey is NGGXELXJGGAATF-UITAMQMPSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-7-14-10(15)9(16-7)5-8-6-13-11(17-8)12(2,3)4/h5-6H,1H2,2-4H3,(H,14,15)/b9-5-.
What are the key properties of (5Z)-5-[(2-tert-butyl-1,3-thiazol-5-yl)methylidene]-2-methylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(2-tert-butyl-1,3-thiazol-5-yl)methylidene]-2-methylidene-1,3-thiazolidin-4-one has a molecular weight of 266.39 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-tert-butyl-1,3-thiazol-5-yl)methylidene]-2-methylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 70837536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).