4-(5-methylidene-4-phenyl-1,3-thiazol-2-ylidene)morpholin-4-ium

C14H15N2OS+ — CID 59035342

IUPAC4-(5-methylidene-4-phenyl-1,3-thiazol-2-ylidene)morpholin-4-ium
SMILESC=C1SC(=[N+]2CCOCC2)N=C1c1ccccc1
InChIInChI=1S/C14H15N2OS/c1-11-13(12-5-3-2-4-6-12)15-14(18-11)16-7-9-17-10-8-16/h2-6H,1,7-10H2/q+1
InChIKeyAPHYZGFGCUNZEK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.13
Rot. Bonds1

About 4-(5-methylidene-4-phenyl-1,3-thiazol-2-ylidene)morpholin-4-ium

4-(5-methylidene-4-phenyl-1,3-thiazol-2-ylidene)morpholin-4-ium (PubChem CID 59035342) has the molecular formula C14H15N2OS+ and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(5-methylidene-4-phenyl-1,3-thiazol-2-ylidene)morpholin-4-ium.

Molecular Properties

Compound Name4-(5-methylidene-4-phenyl-1,3-thiazol-2-ylidene)morpholin-4-ium
PubChem CID59035342
Molecular FormulaC14H15N2OS+
Molecular Weight259.35 g/mol
Exact Mass259.09
IUPAC Name4-(5-methylidene-4-phenyl-1,3-thiazol-2-ylidene)morpholin-4-ium
SMILESC=C1SC(=[N+]2CCOCC2)N=C1c1ccccc1
InChIInChI=1S/C14H15N2OS/c1-11-13(12-5-3-2-4-6-12)15-14(18-11)16-7-9-17-10-8-16/h2-6H,1,7-10H2/q+1
InChIKeyAPHYZGFGCUNZEK-UHFFFAOYSA-N
XLogP2.13
TPSA24.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-Morpholino-5-(4-fluorophenyl)-6H-1,3,4-thiadiazine
CID 139225332
4-[(Methylsulfanyl)(phenyl)methylidene]morpholin-4-ium iodide
CID 12322618
4-(5-Benzyl-4,5-dihydro-1,3-thiazol-2-yl)morpholine
CID 4102420
2-Morpholino-5-phenyl-6h-1,3,4-thiadiazine
CID 12356178
2-Morpholino-5-phenyl-6h-1,3,4-thiadiazine hydrochloride
CID 17827235
2-Mor-pholino-5-phenyl-6h-1,3,4-thiadiazine hydrobromide
CID 56955895
4-(5-Phenyl-1,2,4-dithiazol-3-ylidene)morpholin-4-ium perchlorate
CID 85928689
4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide
CID 139225355
4-[Methylsulfanyl(phenyl)methylidene]morpholin-4-ium
CID 422715
2,6-dimethyl-4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine
CID 3155981
4-(1-Methylsulfanyl-2-phenylethylidene)morpholin-4-ium
CID 12376787
4-(Morpholin-4-yl)-6-phenyl-2H-1,3,5-thiadiazin-2-one
CID 12428288

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylidene-4-phenyl-1,3-thiazol-2-ylidene)morpholin-4-ium?
The IUPAC name of 4-(5-methylidene-4-phenyl-1,3-thiazol-2-ylidene)morpholin-4-ium (CID 59035342) is 4-(5-methylidene-4-phenyl-1,3-thiazol-2-ylidene)morpholin-4-ium.
What is the SMILES notation for 4-(5-methylidene-4-phenyl-1,3-thiazol-2-ylidene)morpholin-4-ium?
The canonical SMILES for 4-(5-methylidene-4-phenyl-1,3-thiazol-2-ylidene)morpholin-4-ium is C=C1SC(=[N+]2CCOCC2)N=C1c1ccccc1.
What is the InChIKey of 4-(5-methylidene-4-phenyl-1,3-thiazol-2-ylidene)morpholin-4-ium?
The InChIKey is APHYZGFGCUNZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N2OS/c1-11-13(12-5-3-2-4-6-12)15-14(18-11)16-7-9-17-10-8-16/h2-6H,1,7-10H2/q+1.
What are the key properties of 4-(5-methylidene-4-phenyl-1,3-thiazol-2-ylidene)morpholin-4-ium?
4-(5-methylidene-4-phenyl-1,3-thiazol-2-ylidene)morpholin-4-ium has a molecular weight of 259.35 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylidene-4-phenyl-1,3-thiazol-2-ylidene)morpholin-4-ium is sourced from PubChem (CID 59035342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).