(5E)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one

C10H11N3OS — CID 885626

IUPAC(5E)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one
SMILESCc1ccc(/C=C2\C(=O)N=C(N)N2C)s1
InChIInChI=1S/C10H11N3OS/c1-6-3-4-7(15-6)5-8-9(14)12-10(11)13(8)2/h3-5H,1-2H3,(H2,11,12,14)/b8-5+
InChIKeyUUMOBMXTNIALJL-VMPITWQZSA-N
MW221.28 g/mol
LogP1.18
Rot. Bonds1

About (5E)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one

(5E)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one (PubChem CID 885626) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is (5E)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one.

Molecular Properties

Compound Name(5E)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one
PubChem CID885626
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name(5E)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one
SMILESCc1ccc(/C=C2\C(=O)N=C(N)N2C)s1
InChIInChI=1S/C10H11N3OS/c1-6-3-4-7(15-6)5-8-9(14)12-10(11)13(8)2/h3-5H,1-2H3,(H2,11,12,14)/b8-5+
InChIKeyUUMOBMXTNIALJL-VMPITWQZSA-N
XLogP1.18
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5E)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
CID 154735528
CID 154735528
(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

Frequently Asked Questions

What is the IUPAC name of (5E)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one?
The IUPAC name of (5E)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one (CID 885626) is (5E)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one.
What is the SMILES notation for (5E)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one?
The canonical SMILES for (5E)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one is Cc1ccc(/C=C2\C(=O)N=C(N)N2C)s1.
What is the InChIKey of (5E)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one?
The InChIKey is UUMOBMXTNIALJL-VMPITWQZSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-6-3-4-7(15-6)5-8-9(14)12-10(11)13(8)2/h3-5H,1-2H3,(H2,11,12,14)/b8-5+.
What are the key properties of (5E)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one?
(5E)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one has a molecular weight of 221.28 g/mol, XLogP of 1.18, 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-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one is sourced from PubChem (CID 885626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).