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

C10H11N3OS — CID 885627

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

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

(5Z)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one (PubChem CID 885627) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is (5Z)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one
PubChem CID885627
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name(5Z)-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-YVMONPNESA-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 (5Z)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one?
The IUPAC name of (5Z)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one (CID 885627) is (5Z)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one.
What is the SMILES notation for (5Z)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one?
The canonical SMILES for (5Z)-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 (5Z)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one?
The InChIKey is UUMOBMXTNIALJL-YVMONPNESA-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 (5Z)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one?
(5Z)-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 (5Z)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one is sourced from PubChem (CID 885627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).