2-[3-(4-methoxyphenyl)-5-morpholin-4-yl-1,2,4-thiadiazol-2-ium-2-yl]acetamide

C15H19N4O3S+ — CID 10671718

IUPAC2-[3-(4-methoxyphenyl)-5-morpholin-4-yl-1,2,4-thiadiazol-2-ium-2-yl]acetamide
SMILESCOc1ccc(-c2nc(N3CCOCC3)s[n+]2CC(N)=O)cc1
InChIInChI=1S/C15H18N4O3S/c1-21-12-4-2-11(3-5-12)14-17-15(18-6-8-22-9-7-18)23-19(14)10-13(16)20/h2-5H,6-10H2,1H3,(H-,16,20)/p+1
InChIKeyRZNZHCCFDBFWED-UHFFFAOYSA-O
MW335.41 g/mol
LogP0.43
Rot. Bonds5

About 2-[3-(4-methoxyphenyl)-5-morpholin-4-yl-1,2,4-thiadiazol-2-ium-2-yl]acetamide

2-[3-(4-methoxyphenyl)-5-morpholin-4-yl-1,2,4-thiadiazol-2-ium-2-yl]acetamide (PubChem CID 10671718) has the molecular formula C15H19N4O3S+ and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-5-morpholin-4-yl-1,2,4-thiadiazol-2-ium-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-5-morpholin-4-yl-1,2,4-thiadiazol-2-ium-2-yl]acetamide
PubChem CID10671718
Molecular FormulaC15H19N4O3S+
Molecular Weight335.41 g/mol
Exact Mass335.12
IUPAC Name2-[3-(4-methoxyphenyl)-5-morpholin-4-yl-1,2,4-thiadiazol-2-ium-2-yl]acetamide
SMILESCOc1ccc(-c2nc(N3CCOCC3)s[n+]2CC(N)=O)cc1
InChIInChI=1S/C15H18N4O3S/c1-21-12-4-2-11(3-5-12)14-17-15(18-6-8-22-9-7-18)23-19(14)10-13(16)20/h2-5H,6-10H2,1H3,(H-,16,20)/p+1
InChIKeyRZNZHCCFDBFWED-UHFFFAOYSA-O
XLogP0.43
TPSA81.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
4-isocyano-3-(4-methoxyphenyl)-5-morpholin-4-ylthiophene-2-carboxylic acid
CID 58022836
[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone
CID 11742058
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110556352
N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 117094105
(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 92642329
N'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 26950907
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2116771
2-[(R)-[2-(4-methoxyanilino)-2-oxoethyl]sulfinyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 51686054
4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine
CID 6401297
4-[(6-methoxynaphthalen-2-yl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde
CID 88589426

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-5-morpholin-4-yl-1,2,4-thiadiazol-2-ium-2-yl]acetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-5-morpholin-4-yl-1,2,4-thiadiazol-2-ium-2-yl]acetamide (CID 10671718) is 2-[3-(4-methoxyphenyl)-5-morpholin-4-yl-1,2,4-thiadiazol-2-ium-2-yl]acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-5-morpholin-4-yl-1,2,4-thiadiazol-2-ium-2-yl]acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-5-morpholin-4-yl-1,2,4-thiadiazol-2-ium-2-yl]acetamide is COc1ccc(-c2nc(N3CCOCC3)s[n+]2CC(N)=O)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-5-morpholin-4-yl-1,2,4-thiadiazol-2-ium-2-yl]acetamide?
The InChIKey is RZNZHCCFDBFWED-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N4O3S/c1-21-12-4-2-11(3-5-12)14-17-15(18-6-8-22-9-7-18)23-19(14)10-13(16)20/h2-5H,6-10H2,1H3,(H-,16,20)/p+1.
What are the key properties of 2-[3-(4-methoxyphenyl)-5-morpholin-4-yl-1,2,4-thiadiazol-2-ium-2-yl]acetamide?
2-[3-(4-methoxyphenyl)-5-morpholin-4-yl-1,2,4-thiadiazol-2-ium-2-yl]acetamide has a molecular weight of 335.41 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-5-morpholin-4-yl-1,2,4-thiadiazol-2-ium-2-yl]acetamide is sourced from PubChem (CID 10671718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).