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

C10H11N3OS — CID 750610

IUPAC(5Z)-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-ALCCZGGFSA-N
MW221.28 g/mol
LogP1.18
Rot. Bonds1

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

(5Z)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one (PubChem CID 750610) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is (5Z)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one
PubChem CID750610
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name(5Z)-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-ALCCZGGFSA-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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Related Compounds

2-Methylsulfanyl imidazol-4-one, 8
CID 135932619
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 145924198
CID 145924198
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-(methylsulfanyl)benzylidene]imidazolidin-4-one
CID 11837928
(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-imino-1-methylimidazolidin-4-one
CID 19577206
(4Z)-2-propylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 177858144
(4Z)-2-butylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 177858155

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one?
The IUPAC name of (5Z)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one (CID 750610) is (5Z)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one.
What is the SMILES notation for (5Z)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one?
The canonical SMILES for (5Z)-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 (5Z)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-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-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one?
(5Z)-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 (5Z)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one is sourced from PubChem (CID 750610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).