2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide

C14H19N5O3S3 — CID 4965392

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(N)s2)c1
InChIInChI=1S/C14H19N5O3S3/c1-3-19(4-2)25(21,22)11-7-5-6-10(8-11)16-12(20)9-23-14-18-17-13(15)24-14/h5-8H,3-4,9H2,1-2H3,(H2,15,17)(H,16,20)
InChIKeyANNXJQNNQXTYRF-UHFFFAOYSA-N
MW401.54 g/mol
LogP1.88
Rot. Bonds8

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 4965392) has the molecular formula C14H19N5O3S3 and a molecular weight of 401.54 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
PubChem CID4965392
Molecular FormulaC14H19N5O3S3
Molecular Weight401.54 g/mol
Exact Mass401.07
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(N)s2)c1
InChIInChI=1S/C14H19N5O3S3/c1-3-19(4-2)25(21,22)11-7-5-6-10(8-11)16-12(20)9-23-14-18-17-13(15)24-14/h5-8H,3-4,9H2,1-2H3,(H2,15,17)(H,16,20)
InChIKeyANNXJQNNQXTYRF-UHFFFAOYSA-N
XLogP1.88
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)phenyl]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

5-(4-Acetamido-3-fluorobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
CID 11047521
N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 395815
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide
CID 698762
5-(4-Acetamido-3-iodobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
CID 11103137
2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3919132
N-[4-(5-Isopropyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-phenyl]-acetamide
CID 750640
N-(4-(((5-Methyl-1,3,4-thiadiazol-2-yl)amino)sulphonyl)phenyl)acetamide
CID 791566
N-(4-(((5-Ethyl-1,3,4-thiadiazol-2-yl)amino)sulfonyl)phenyl)acetamide
CID 745569
2-({5-[(methylsulfonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-N,N-diphenylacetamide
CID 2270550
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-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide
CID 3946151

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide (CID 4965392) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(N)s2)c1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is ANNXJQNNQXTYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S3/c1-3-19(4-2)25(21,22)11-7-5-6-10(8-11)16-12(20)9-23-14-18-17-13(15)24-14/h5-8H,3-4,9H2,1-2H3,(H2,15,17)(H,16,20).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 401.54 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4965392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).