N-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide

C11H11N3O2S — CID 2826150

IUPACN-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)C(=Cc2cccs2)N1C
InChIInChI=1S/C11H11N3O2S/c1-7(15)12-11-13-10(16)9(14(11)2)6-8-4-3-5-17-8/h3-6H,1-2H3,(H,12,13,15,16)
InChIKeyWRJWJQPNKGKEJD-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.05
Rot. Bonds1

About N-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide

N-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide (PubChem CID 2826150) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide
PubChem CID2826150
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)C(=Cc2cccs2)N1C
InChIInChI=1S/C11H11N3O2S/c1-7(15)12-11-13-10(16)9(14(11)2)6-8-4-3-5-17-8/h3-6H,1-2H3,(H,12,13,15,16)
InChIKeyWRJWJQPNKGKEJD-UHFFFAOYSA-N
XLogP1.05
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
5-(2-Thienylmethylene)-2,4-imidazolidinedione
CID 6508822
(4Z)-2-piperazin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 136273060
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
CID 154735528
CID 154735528
2-(1-Piperidinyl)-5-(2-thienylmethylene)-3,5-dihydro-4H-imidazol-4-one
CID 135493936
2-(4-Morpholinyl)-5-(2-thienylmethylene)-3,5-dihydro-4H-imidazol-4-one
CID 135493955
CID 145924198
CID 145924198
(5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one
CID 750610
(5E)-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione
CID 6307122

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide?
The IUPAC name of N-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide (CID 2826150) is N-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide.
What is the SMILES notation for N-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide?
The canonical SMILES for N-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide is CC(=O)NC1=NC(=O)C(=Cc2cccs2)N1C.
What is the InChIKey of N-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide?
The InChIKey is WRJWJQPNKGKEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7(15)12-11-13-10(16)9(14(11)2)6-8-4-3-5-17-8/h3-6H,1-2H3,(H,12,13,15,16).
What are the key properties of N-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide?
N-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide has a molecular weight of 249.30 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide is sourced from PubChem (CID 2826150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).