ethane;(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one

C11H14N2OS — CID 144516717

IUPACethane;(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
SMILESCC.CC1=N/C(=C\c2cccs2)C(=O)N1
InChIInChI=1S/C9H8N2OS.C2H6/c1-6-10-8(9(12)11-6)5-7-3-2-4-13-7;1-2/h2-5H,1H3,(H,10,11,12);1-2H3/b8-5-;
InChIKeyRBQSADGORCJHLY-HGKIGUAWSA-N
MW222.31 g/mol
LogP2.66
Rot. Bonds1

About ethane;(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one

ethane;(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one (PubChem CID 144516717) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is ethane;(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Nameethane;(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
PubChem CID144516717
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Nameethane;(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
SMILESCC.CC1=N/C(=C\c2cccs2)C(=O)N1
InChIInChI=1S/C9H8N2OS.C2H6/c1-6-10-8(9(12)11-6)5-7-3-2-4-13-7;1-2/h2-5H,1H3,(H,10,11,12);1-2H3/b8-5-;
InChIKeyRBQSADGORCJHLY-HGKIGUAWSA-N
XLogP2.66
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methylsulfanyl imidazol-4-one, 8
CID 135932619
2-Imino-1-methyl-5-[(5-methyl-2-thienyl)methylene]-4-imidazolidinone
CID 885627
N-[(5E)-1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide
CID 5716781
(4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 135445605
N-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide
CID 2826150
(5Z)-3-prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
CID 5470559
(5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
CID 5470565
5-fluoro-4-methyl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
CID 136228764
N-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide
CID 6385561
2-(2-Aminobutan-2-yl)-6-(thiophen-2-yl)-3,4-dihydropyrimidin-4-one
CID 136068047
(4Z)-2-propylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 177858144
(4Z)-2-butylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 177858155

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of ethane;(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one (CID 144516717) is ethane;(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for ethane;(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for ethane;(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one is CC.CC1=N/C(=C\c2cccs2)C(=O)N1.
What is the InChIKey of ethane;(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is RBQSADGORCJHLY-HGKIGUAWSA-N. The full InChI is InChI=1S/C9H8N2OS.C2H6/c1-6-10-8(9(12)11-6)5-7-3-2-4-13-7;1-2/h2-5H,1H3,(H,10,11,12);1-2H3/b8-5-;.
What are the key properties of ethane;(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
ethane;(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one has a molecular weight of 222.31 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 144516717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).