N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide

C17H19N4O4S2+ — CID 53295687

IUPACN-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCOCC[n+]1cc(NC(=O)CSc2nc(-c3ccc(OC)cc3)cs2)on1
InChIInChI=1S/C17H18N4O4S2/c1-23-8-7-21-9-16(25-20-21)19-15(22)11-27-17-18-14(10-26-17)12-3-5-13(24-2)6-4-12/h3-6,9-10H,7-8,11H2,1-2H3/p+1
InChIKeyOCGFOBGCMUNBQG-UHFFFAOYSA-O
MW407.50 g/mol
LogP2.47
Rot. Bonds9

About N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide

N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (PubChem CID 53295687) has the molecular formula C17H19N4O4S2+ and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
PubChem CID53295687
Molecular FormulaC17H19N4O4S2+
Molecular Weight407.50 g/mol
Exact Mass407.08
IUPAC NameN-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCOCC[n+]1cc(NC(=O)CSc2nc(-c3ccc(OC)cc3)cs2)on1
InChIInChI=1S/C17H18N4O4S2/c1-23-8-7-21-9-16(25-20-21)19-15(22)11-27-17-18-14(10-26-17)12-3-5-13(24-2)6-4-12/h3-6,9-10H,7-8,11H2,1-2H3/p+1
InChIKeyOCGFOBGCMUNBQG-UHFFFAOYSA-O
XLogP2.47
TPSA90.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxadiazol-3-ium-5-yl)acetamide
CID 53294401
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3971135
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53295635
2-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53295683
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[3-(dimethylamino)oxadiazol-3-ium-5-yl]acetamide
CID 53295367
N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-pyridin-2-ylsulfanylacetamide
CID 53295755
2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 4006854
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53295663
N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]benzamide
CID 53275257
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 23765637
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53295885
N-(1-methoxypropan-2-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 18079402

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (CID 53295687) is N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is COCC[n+]1cc(NC(=O)CSc2nc(-c3ccc(OC)cc3)cs2)on1.
What is the InChIKey of N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The InChIKey is OCGFOBGCMUNBQG-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18N4O4S2/c1-23-8-7-21-9-16(25-20-21)19-15(22)11-27-17-18-14(10-26-17)12-3-5-13(24-2)6-4-12/h3-6,9-10H,7-8,11H2,1-2H3/p+1.
What are the key properties of N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide has a molecular weight of 407.50 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethyl)oxadiazol-3-ium-5-yl]-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 53295687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).