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

C18H26N6O4S3 — CID 24981842

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C18H26N6O4S3/c1-3-23(4-2)15-6-5-13(31(26,27)24-7-9-28-10-8-24)11-14(15)20-16(25)12-29-18-22-21-17(19)30-18/h5-6,11H,3-4,7-10,12H2,1-2H3,(H2,19,21)(H,20,25)
InChIKeyIRDFUPUKSHWCEE-UHFFFAOYSA-N
MW486.65 g/mol
LogP1.72
Rot. Bonds9

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide (PubChem CID 24981842) has the molecular formula C18H26N6O4S3 and a molecular weight of 486.65 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
PubChem CID24981842
Molecular FormulaC18H26N6O4S3
Molecular Weight486.65 g/mol
Exact Mass486.12
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C18H26N6O4S3/c1-3-23(4-2)15-6-5-13(31(26,27)24-7-9-28-10-8-24)11-14(15)20-16(25)12-29-18-22-21-17(19)30-18/h5-6,11H,3-4,7-10,12H2,1-2H3,(H2,19,21)(H,20,25)
InChIKeyIRDFUPUKSHWCEE-UHFFFAOYSA-N
XLogP1.72
TPSA130.75 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.65
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide (CID 24981842) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide is CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide?
The InChIKey is IRDFUPUKSHWCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O4S3/c1-3-23(4-2)15-6-5-13(31(26,27)24-7-9-28-10-8-24)11-14(15)20-16(25)12-29-18-22-21-17(19)30-18/h5-6,11H,3-4,7-10,12H2,1-2H3,(H2,19,21)(H,20,25).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide has a molecular weight of 486.65 g/mol, XLogP of 1.72, 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-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide is sourced from PubChem (CID 24981842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).