2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide

C18H25N5O4S2 — CID 2382458

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C18H25N5O4S2/c1-3-26-14-10-13(23-5-7-25-8-6-23)15(27-4-2)9-12(14)20-16(24)11-28-18-22-21-17(19)29-18/h9-10H,3-8,11H2,1-2H3,(H2,19,21)(H,20,24)
InChIKeyMUDBDNWFPMZQGU-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.49
Rot. Bonds9

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide (PubChem CID 2382458) has the molecular formula C18H25N5O4S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
PubChem CID2382458
Molecular FormulaC18H25N5O4S2
Molecular Weight439.56 g/mol
Exact Mass439.13
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C18H25N5O4S2/c1-3-26-14-10-13(23-5-7-25-8-6-23)15(27-4-2)9-12(14)20-16(24)11-28-18-22-21-17(19)29-18/h9-10H,3-8,11H2,1-2H3,(H2,19,21)(H,20,24)
InChIKeyMUDBDNWFPMZQGU-UHFFFAOYSA-N
XLogP2.49
TPSA111.83 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 2381476
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 2176354
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2383396
2-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 2559488
1-(2,6-Dimethylmorpholin-4-yl)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 2998079
1-(2,5-Dimethoxyphenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 3457778
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 708017
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8088364
2-(6-amino-4-hydroxypyrimidin-2-ylthio)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 135703501
N-[5-({[(2,5-Dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-YL]cyclopropanecarboxamide
CID 3231560
N-(2,5-dimethoxyphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2370034
N-(2,5-dimethoxyphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24246645

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide (CID 2382458) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
The InChIKey is MUDBDNWFPMZQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4S2/c1-3-26-14-10-13(23-5-7-25-8-6-23)15(27-4-2)9-12(14)20-16(24)11-28-18-22-21-17(19)29-18/h9-10H,3-8,11H2,1-2H3,(H2,19,21)(H,20,24).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide has a molecular weight of 439.56 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2382458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).