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

C15H18N4O2S2 — CID 1286653

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1nnc(SCC(=O)Nc2ccccc2N2CCOCC2)s1
InChIInChI=1S/C15H18N4O2S2/c1-11-17-18-15(23-11)22-10-14(20)16-12-4-2-3-5-13(12)19-6-8-21-9-7-19/h2-5H,6-10H2,1H3,(H,16,20)
InChIKeyALESYBZBLIOROR-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.41
Rot. Bonds5

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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 1286653) has the molecular formula C15H18N4O2S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID1286653
Molecular FormulaC15H18N4O2S2
Molecular Weight350.47 g/mol
Exact Mass350.09
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1nnc(SCC(=O)Nc2ccccc2N2CCOCC2)s1
InChIInChI=1S/C15H18N4O2S2/c1-11-17-18-15(23-11)22-10-14(20)16-12-4-2-3-5-13(12)19-6-8-21-9-7-19/h2-5H,6-10H2,1H3,(H,16,20)
InChIKeyALESYBZBLIOROR-UHFFFAOYSA-N
XLogP2.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide (CID 1286653) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide is Cc1nnc(SCC(=O)Nc2ccccc2N2CCOCC2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is ALESYBZBLIOROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S2/c1-11-17-18-15(23-11)22-10-14(20)16-12-4-2-3-5-13(12)19-6-8-21-9-7-19/h2-5H,6-10H2,1H3,(H,16,20).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 350.47 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 1286653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).