(4Z)-2-methylsulfanyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one

C10H9N3OS — CID 137201426

IUPAC(4Z)-2-methylsulfanyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one
SMILESCSC1=N/C(=C\c2ccccn2)C(=O)N1
InChIInChI=1S/C10H9N3OS/c1-15-10-12-8(9(14)13-10)6-7-4-2-3-5-11-7/h2-6H,1H3,(H,12,13,14)/b8-6-
InChIKeyCBCGYPMKUQTBKS-VURMDHGXSA-N
MW219.27 g/mol
LogP1.27
Rot. Bonds1

About (4Z)-2-methylsulfanyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one

(4Z)-2-methylsulfanyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one (PubChem CID 137201426) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is (4Z)-2-methylsulfanyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-methylsulfanyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one
PubChem CID137201426
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name(4Z)-2-methylsulfanyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one
SMILESCSC1=N/C(=C\c2ccccn2)C(=O)N1
InChIInChI=1S/C10H9N3OS/c1-15-10-12-8(9(14)13-10)6-7-4-2-3-5-11-7/h2-6H,1H3,(H,12,13,14)/b8-6-
InChIKeyCBCGYPMKUQTBKS-VURMDHGXSA-N
XLogP1.27
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.27
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

(4E)-2-cyclobutyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one
CID 136893231
(4E)-2-pyridin-3-yl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one
CID 136893190
(4E)-2-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one
CID 136893228
(4Z)-4-(1,3-benzothiazol-6-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one
CID 162346643
3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione
CID 76657528
2-ethylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one
CID 135426543
(3E)-3-(pyridin-2-ylmethylidene)piperidin-2-one
CID 141437011
(4E)-2-(2-methylpropyl)-4-(pyridin-2-ylmethylidene)-1,3-oxazol-5-one
CID 108935847
2-methyl-6-[(Z)-2-pyridin-2-ylethenyl]pyridine
CID 141005556
2-(4-phenylphenyl)-4-(pyridin-2-ylmethylidene)-1,3-oxazol-5-one
CID 3519598
(4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136893560
1,7,7-trimethyl-3-(pyridin-2-ylmethylidene)bicyclo[2.2.1]heptan-2-one
CID 54284598

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-methylsulfanyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-methylsulfanyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one (CID 137201426) is (4Z)-2-methylsulfanyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-methylsulfanyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-methylsulfanyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one is CSC1=N/C(=C\c2ccccn2)C(=O)N1.
What is the InChIKey of (4Z)-2-methylsulfanyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is CBCGYPMKUQTBKS-VURMDHGXSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-15-10-12-8(9(14)13-10)6-7-4-2-3-5-11-7/h2-6H,1H3,(H,12,13,14)/b8-6-.
What are the key properties of (4Z)-2-methylsulfanyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one?
(4Z)-2-methylsulfanyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one has a molecular weight of 219.27 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-methylsulfanyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 137201426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).