(5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one

C10H11N3OS — CID 154735434

IUPAC(5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2sccc2C)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-ALCCZGGFSA-N
MW221.28 g/mol
LogP1.39
Rot. Bonds1

About (5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one

(5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one (PubChem CID 154735434) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is (5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one
PubChem CID154735434
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name(5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2sccc2C)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-ALCCZGGFSA-N
XLogP1.39
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-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-Imino-1-methyl-5-[(5-methyl-2-thienyl)methylene]-4-imidazolidinone
CID 885627
(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one
CID 56950035
N-[(5E)-1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide
CID 5716781
N-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide
CID 2826150
CID 154735528
CID 154735528
CID 145924198
CID 145924198
(5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one
CID 750610
5-[(3-Methyl-2-thienyl)methylene]-2,4-imidazolidinedione
CID 696737
N-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide
CID 6385561
(5Z)-2-imino-1-methyl-5-[(4-methylsulfanylphenyl)methylidene]imidazolidin-4-one
CID 145922935
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 1777238
(5E)-2-amino-1-methyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
CID 15210892

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one?
The IUPAC name of (5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one (CID 154735434) is (5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one.
What is the SMILES notation for (5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one?
The canonical SMILES for (5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one is [H]/N=C1\NC(=O)/C(=C/c2sccc2C)N1C.
What is the InChIKey of (5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one?
The InChIKey is VREKVIMZGWRAIS-ALCCZGGFSA-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 (5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one?
(5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one has a molecular weight of 221.28 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one is sourced from PubChem (CID 154735434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).