(5E)-5-[(5-methylthiophen-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione

C12H13NO2S2 — CID 1209914

IUPAC(5E)-5-[(5-methylthiophen-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)s1
InChIInChI=1S/C12H13NO2S2/c1-7(2)13-11(14)10(17-12(13)15)6-9-5-4-8(3)16-9/h4-7H,1-3H3/b10-6+
InChIKeyFXFBJCNBUURCLC-UXBLZVDNSA-N
MW267.38 g/mol
LogP3.50
Rot. Bonds2

About (5E)-5-[(5-methylthiophen-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione

(5E)-5-[(5-methylthiophen-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione (PubChem CID 1209914) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is (5E)-5-[(5-methylthiophen-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(5-methylthiophen-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
PubChem CID1209914
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Name(5E)-5-[(5-methylthiophen-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)s1
InChIInChI=1S/C12H13NO2S2/c1-7(2)13-11(14)10(17-12(13)15)6-9-5-4-8(3)16-9/h4-7H,1-3H3/b10-6+
InChIKeyFXFBJCNBUURCLC-UXBLZVDNSA-N
XLogP3.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
5-[(5-methylfuran-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 3448845
(5Z)-3-propan-2-yl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 21214472
(5Z)-3-methyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1313152
(5E)-3-benzyl-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 124663016
(5Z)-5-(iodomethylidene)-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 121406483
5-[(4-methoxy-2-methylphenyl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 4123144
ethyl 2-[(5E)-5-[(5-methylthiophen-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 2288773
(5Z)-5-[(2-ethoxyphenyl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 126080300
(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
(5E)-5-[(1-ethylpyrrol-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 126029691

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-methylthiophen-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(5-methylthiophen-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione (CID 1209914) is (5E)-5-[(5-methylthiophen-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(5-methylthiophen-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(5-methylthiophen-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione is Cc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)s1.
What is the InChIKey of (5E)-5-[(5-methylthiophen-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The InChIKey is FXFBJCNBUURCLC-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-7(2)13-11(14)10(17-12(13)15)6-9-5-4-8(3)16-9/h4-7H,1-3H3/b10-6+.
What are the key properties of (5E)-5-[(5-methylthiophen-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
(5E)-5-[(5-methylthiophen-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione has a molecular weight of 267.38 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-methylthiophen-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1209914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).