(5Z)-4-methylidene-5-(quinoxalin-6-ylmethylidene)imidazolidine-2-thione

C13H10N4S — CID 170264738

IUPAC(5Z)-4-methylidene-5-(quinoxalin-6-ylmethylidene)imidazolidine-2-thione
SMILESC=c1[nH]c(=S)[nH]/c1=C\c1ccc2nccnc2c1
InChIInChI=1S/C13H10N4S/c1-8-11(17-13(18)16-8)6-9-2-3-10-12(7-9)15-5-4-14-10/h2-7H,1H2,(H2,16,17,18)/b11-6-
InChIKeyNAQDIFLMOKOHIW-WDZFZDKYSA-N
MW254.32 g/mol
LogP1.25
Rot. Bonds1

About (5Z)-4-methylidene-5-(quinoxalin-6-ylmethylidene)imidazolidine-2-thione

(5Z)-4-methylidene-5-(quinoxalin-6-ylmethylidene)imidazolidine-2-thione (PubChem CID 170264738) has the molecular formula C13H10N4S and a molecular weight of 254.32 g/mol. Its IUPAC name is (5Z)-4-methylidene-5-(quinoxalin-6-ylmethylidene)imidazolidine-2-thione.

Molecular Properties

Compound Name(5Z)-4-methylidene-5-(quinoxalin-6-ylmethylidene)imidazolidine-2-thione
PubChem CID170264738
Molecular FormulaC13H10N4S
Molecular Weight254.32 g/mol
Exact Mass254.06
IUPAC Name(5Z)-4-methylidene-5-(quinoxalin-6-ylmethylidene)imidazolidine-2-thione
SMILESC=c1[nH]c(=S)[nH]/c1=C\c1ccc2nccnc2c1
InChIInChI=1S/C13H10N4S/c1-8-11(17-13(18)16-8)6-9-2-3-10-12(7-9)15-5-4-14-10/h2-7H,1H2,(H2,16,17,18)/b11-6-
InChIKeyNAQDIFLMOKOHIW-WDZFZDKYSA-N
XLogP1.25
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-methylidene-5-(quinoxalin-6-ylmethylidene)imidazolidine-2-thione?
The IUPAC name of (5Z)-4-methylidene-5-(quinoxalin-6-ylmethylidene)imidazolidine-2-thione (CID 170264738) is (5Z)-4-methylidene-5-(quinoxalin-6-ylmethylidene)imidazolidine-2-thione.
What is the SMILES notation for (5Z)-4-methylidene-5-(quinoxalin-6-ylmethylidene)imidazolidine-2-thione?
The canonical SMILES for (5Z)-4-methylidene-5-(quinoxalin-6-ylmethylidene)imidazolidine-2-thione is C=c1[nH]c(=S)[nH]/c1=C\c1ccc2nccnc2c1.
What is the InChIKey of (5Z)-4-methylidene-5-(quinoxalin-6-ylmethylidene)imidazolidine-2-thione?
The InChIKey is NAQDIFLMOKOHIW-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H10N4S/c1-8-11(17-13(18)16-8)6-9-2-3-10-12(7-9)15-5-4-14-10/h2-7H,1H2,(H2,16,17,18)/b11-6-.
What are the key properties of (5Z)-4-methylidene-5-(quinoxalin-6-ylmethylidene)imidazolidine-2-thione?
(5Z)-4-methylidene-5-(quinoxalin-6-ylmethylidene)imidazolidine-2-thione has a molecular weight of 254.32 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-methylidene-5-(quinoxalin-6-ylmethylidene)imidazolidine-2-thione is sourced from PubChem (CID 170264738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).