(5E)-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione

C9H8N2O2S — CID 696737

IUPAC(5E)-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
SMILESCc1ccsc1/C=C1/NC(=O)NC1=O
InChIInChI=1S/C9H8N2O2S/c1-5-2-3-14-7(5)4-6-8(12)11-9(13)10-6/h2-4H,1H3,(H2,10,11,12,13)/b6-4+
InChIKeyFCYZXUYVZFESPZ-GQCTYLIASA-N
MW208.24 g/mol
LogP1.24
Rot. Bonds1

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

(5E)-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 696737) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is (5E)-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
PubChem CID696737
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name(5E)-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
SMILESCc1ccsc1/C=C1/NC(=O)NC1=O
InChIInChI=1S/C9H8N2O2S/c1-5-2-3-14-7(5)4-6-8(12)11-9(13)10-6/h2-4H,1H3,(H2,10,11,12,13)/b6-4+
InChIKeyFCYZXUYVZFESPZ-GQCTYLIASA-N
XLogP1.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469195
5-(2-Thienylmethylene)-2,4-imidazolidinedione
CID 6508822
(5E)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
CID 697088
3-Isobutyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5411556
(Z)-5-(4-(Ethylthio)benzylidene)imidazolidine-2,4-dione
CID 44590756
(Z)-5-(4-(thiophen-3-yl)benzylidene)imidazolidine-2,4-dione
CID 45271869
(Z)-5-(4-(Thiophen-2-yl)benzylidene)imidazolidine-2,4-dione
CID 44590760
(5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 1277565
(5Z)-5-[(2-thiophen-2-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 12988206
(5Z)-5-[(3-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 56949755
(5Z)-5-[(3-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 56949901
(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one
CID 56950035

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione (CID 696737) is (5E)-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione is Cc1ccsc1/C=C1/NC(=O)NC1=O.
What is the InChIKey of (5E)-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is FCYZXUYVZFESPZ-GQCTYLIASA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-5-2-3-14-7(5)4-6-8(12)11-9(13)10-6/h2-4H,1H3,(H2,10,11,12,13)/b6-4+.
What are the key properties of (5E)-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 208.24 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 696737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).