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

C15H19N5O4S3 — CID 16524273

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(N)s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H19N5O4S3/c1-10-2-3-11(17-13(21)9-25-15-19-18-14(16)26-15)8-12(10)27(22,23)20-4-6-24-7-5-20/h2-3,8H,4-7,9H2,1H3,(H2,16,18)(H,17,21)
InChIKeyMMHQKRAQBOVPGD-UHFFFAOYSA-N
MW429.55 g/mol
LogP1.18
Rot. Bonds6

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 16524273) has the molecular formula C15H19N5O4S3 and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID16524273
Molecular FormulaC15H19N5O4S3
Molecular Weight429.55 g/mol
Exact Mass429.06
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(N)s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H19N5O4S3/c1-10-2-3-11(17-13(21)9-25-15-19-18-14(16)26-15)8-12(10)27(22,23)20-4-6-24-7-5-20/h2-3,8H,4-7,9H2,1H3,(H2,16,18)(H,17,21)
InChIKeyMMHQKRAQBOVPGD-UHFFFAOYSA-N
XLogP1.18
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 2352949
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3434869
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 3892108
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4039105
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4399897
2-[[5-[(3-Methylphenyl)amino]-1,3,4-thiadiazol-2-yl]thio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide
CID 4695527
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 4965392
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16297823
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3660279
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5114105
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 16264538
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16292101

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 16524273) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nnc(N)s2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is MMHQKRAQBOVPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S3/c1-10-2-3-11(17-13(21)9-25-15-19-18-14(16)26-15)8-12(10)27(22,23)20-4-6-24-7-5-20/h2-3,8H,4-7,9H2,1H3,(H2,16,18)(H,17,21).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 429.55 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16524273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).