(5E)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one

C10H11N3OS — CID 750608

IUPAC(5E)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one
SMILESCc1ccsc1/C=C1\C(=O)N=C(N)N1C
InChIInChI=1S/C10H11N3OS/c1-6-3-4-15-8(6)5-7-9(14)12-10(11)13(7)2/h3-5H,1-2H3,(H2,11,12,14)/b7-5+
InChIKeyVREKVIMZGWRAIS-FNORWQNLSA-N
MW221.28 g/mol
LogP1.18
Rot. Bonds1

About (5E)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one

(5E)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one (PubChem CID 750608) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is (5E)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one.

Molecular Properties

Compound Name(5E)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one
PubChem CID750608
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name(5E)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one
SMILESCc1ccsc1/C=C1\C(=O)N=C(N)N1C
InChIInChI=1S/C10H11N3OS/c1-6-3-4-15-8(6)5-7-9(14)12-10(11)13(7)2/h3-5H,1-2H3,(H2,11,12,14)/b7-5+
InChIKeyVREKVIMZGWRAIS-FNORWQNLSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one?
The IUPAC name of (5E)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one (CID 750608) is (5E)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one.
What is the SMILES notation for (5E)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one?
The canonical SMILES for (5E)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one is Cc1ccsc1/C=C1\C(=O)N=C(N)N1C.
What is the InChIKey of (5E)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one?
The InChIKey is VREKVIMZGWRAIS-FNORWQNLSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-6-3-4-15-8(6)5-7-9(14)12-10(11)13(7)2/h3-5H,1-2H3,(H2,11,12,14)/b7-5+.
What are the key properties of (5E)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one?
(5E)-2-amino-1-methyl-5-[(3-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-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one is sourced from PubChem (CID 750608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).