(5E)-2-amino-1-methyl-5-(thiophen-2-ylmethylidene)imidazol-4-one

C9H9N3OS — CID 15210892

IUPAC(5E)-2-amino-1-methyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
SMILESCN1C(N)=NC(=O)/C1=C\c1cccs1
InChIInChI=1S/C9H9N3OS/c1-12-7(8(13)11-9(12)10)5-6-3-2-4-14-6/h2-5H,1H3,(H2,10,11,13)/b7-5+
InChIKeyLHKYGQQOLBCFKL-FNORWQNLSA-N
MW207.26 g/mol
LogP0.88
Rot. Bonds1

About (5E)-2-amino-1-methyl-5-(thiophen-2-ylmethylidene)imidazol-4-one

(5E)-2-amino-1-methyl-5-(thiophen-2-ylmethylidene)imidazol-4-one (PubChem CID 15210892) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is (5E)-2-amino-1-methyl-5-(thiophen-2-ylmethylidene)imidazol-4-one.

Molecular Properties

Compound Name(5E)-2-amino-1-methyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
PubChem CID15210892
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name(5E)-2-amino-1-methyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
SMILESCN1C(N)=NC(=O)/C1=C\c1cccs1
InChIInChI=1S/C9H9N3OS/c1-12-7(8(13)11-9(12)10)5-6-3-2-4-14-6/h2-5H,1H3,(H2,10,11,13)/b7-5+
InChIKeyLHKYGQQOLBCFKL-FNORWQNLSA-N
XLogP0.88
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 50.88
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
(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
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
2-(1-Piperidinyl)-5-(2-thienylmethylene)-3,5-dihydro-4H-imidazol-4-one
CID 135493936
CID 145924198
CID 145924198
(5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one
CID 750610
N-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide
CID 6385561

Frequently Asked Questions

What is the IUPAC name of (5E)-2-amino-1-methyl-5-(thiophen-2-ylmethylidene)imidazol-4-one?
The IUPAC name of (5E)-2-amino-1-methyl-5-(thiophen-2-ylmethylidene)imidazol-4-one (CID 15210892) is (5E)-2-amino-1-methyl-5-(thiophen-2-ylmethylidene)imidazol-4-one.
What is the SMILES notation for (5E)-2-amino-1-methyl-5-(thiophen-2-ylmethylidene)imidazol-4-one?
The canonical SMILES for (5E)-2-amino-1-methyl-5-(thiophen-2-ylmethylidene)imidazol-4-one is CN1C(N)=NC(=O)/C1=C\c1cccs1.
What is the InChIKey of (5E)-2-amino-1-methyl-5-(thiophen-2-ylmethylidene)imidazol-4-one?
The InChIKey is LHKYGQQOLBCFKL-FNORWQNLSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-12-7(8(13)11-9(12)10)5-6-3-2-4-14-6/h2-5H,1H3,(H2,10,11,13)/b7-5+.
What are the key properties of (5E)-2-amino-1-methyl-5-(thiophen-2-ylmethylidene)imidazol-4-one?
(5E)-2-amino-1-methyl-5-(thiophen-2-ylmethylidene)imidazol-4-one has a molecular weight of 207.26 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-amino-1-methyl-5-(thiophen-2-ylmethylidene)imidazol-4-one is sourced from PubChem (CID 15210892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).