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

C14H17N5O4S3 — CID 16524268

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C14H17N5O4S3/c15-13-17-18-14(25-13)24-9-12(20)16-10-2-1-3-11(8-10)26(21,22)19-4-6-23-7-5-19/h1-3,8H,4-7,9H2,(H2,15,17)(H,16,20)
InChIKeyQFXGCXXRCOFGFF-UHFFFAOYSA-N
MW415.52 g/mol
LogP0.87
Rot. Bonds6

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 16524268) has the molecular formula C14H17N5O4S3 and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID16524268
Molecular FormulaC14H17N5O4S3
Molecular Weight415.52 g/mol
Exact Mass415.04
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C14H17N5O4S3/c15-13-17-18-14(25-13)24-9-12(20)16-10-2-1-3-11(8-10)26(21,22)19-4-6-23-7-5-19/h1-3,8H,4-7,9H2,(H2,15,17)(H,16,20)
InChIKeyQFXGCXXRCOFGFF-UHFFFAOYSA-N
XLogP0.87
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (CID 16524268) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is Nc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is QFXGCXXRCOFGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S3/c15-13-17-18-14(25-13)24-9-12(20)16-10-2-1-3-11(8-10)26(21,22)19-4-6-23-7-5-19/h1-3,8H,4-7,9H2,(H2,15,17)(H,16,20).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 415.52 g/mol, XLogP of 0.87, 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-(3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16524268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).