(5Z)-5-(iodomethylidene)-3-propan-2-yl-1,3-thiazolidine-2,4-dione

C7H8INO2S — CID 121406483

IUPAC(5Z)-5-(iodomethylidene)-3-propan-2-yl-1,3-thiazolidine-2,4-dione
SMILESCC(C)N1C(=O)S/C(=C\I)C1=O
InChIInChI=1S/C7H8INO2S/c1-4(2)9-6(10)5(3-8)12-7(9)11/h3-4H,1-2H3/b5-3-
InChIKeyNIGUCFFZDKSEPL-HYXAFXHYSA-N
MW297.12 g/mol
LogP2.37
Rot. Bonds1

About (5Z)-5-(iodomethylidene)-3-propan-2-yl-1,3-thiazolidine-2,4-dione

(5Z)-5-(iodomethylidene)-3-propan-2-yl-1,3-thiazolidine-2,4-dione (PubChem CID 121406483) has the molecular formula C7H8INO2S and a molecular weight of 297.12 g/mol. Its IUPAC name is (5Z)-5-(iodomethylidene)-3-propan-2-yl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(iodomethylidene)-3-propan-2-yl-1,3-thiazolidine-2,4-dione
PubChem CID121406483
Molecular FormulaC7H8INO2S
Molecular Weight297.12 g/mol
Exact Mass296.93
IUPAC Name(5Z)-5-(iodomethylidene)-3-propan-2-yl-1,3-thiazolidine-2,4-dione
SMILESCC(C)N1C(=O)S/C(=C\I)C1=O
InChIInChI=1S/C7H8INO2S/c1-4(2)9-6(10)5(3-8)12-7(9)11/h3-4H,1-2H3/b5-3-
InChIKeyNIGUCFFZDKSEPL-HYXAFXHYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 6068547
(5E)-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 126029870
(5E)-5-[(5-methylthiophen-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 1209914
(5E)-5-[(4-ethoxy-3,5-diiodophenyl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 126029864
(5Z)-3-propan-2-yl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 21214472
5-[(5-methylfuran-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 3448845
(5E)-5-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 126028265
2-[4-[(E)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-2-iodophenoxy]acetic acid
CID 126024477
(5E)-5-[(1-ethylpyrrol-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 126029691
(5E)-5-[(3-fluorophenyl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 7326477
3-propan-2-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1209892
5-[(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 1235539

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(iodomethylidene)-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(iodomethylidene)-3-propan-2-yl-1,3-thiazolidine-2,4-dione (CID 121406483) is (5Z)-5-(iodomethylidene)-3-propan-2-yl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(iodomethylidene)-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(iodomethylidene)-3-propan-2-yl-1,3-thiazolidine-2,4-dione is CC(C)N1C(=O)S/C(=C\I)C1=O.
What is the InChIKey of (5Z)-5-(iodomethylidene)-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The InChIKey is NIGUCFFZDKSEPL-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H8INO2S/c1-4(2)9-6(10)5(3-8)12-7(9)11/h3-4H,1-2H3/b5-3-.
What are the key properties of (5Z)-5-(iodomethylidene)-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
(5Z)-5-(iodomethylidene)-3-propan-2-yl-1,3-thiazolidine-2,4-dione has a molecular weight of 297.12 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(iodomethylidene)-3-propan-2-yl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 121406483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).