2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)acetamide

C13H14ClN5O2S2 — CID 8633568

IUPAC2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C13H14ClN5O2S2/c1-19(11(21)7-22-13-18-17-12(15)23-13)6-10(20)16-9-5-3-2-4-8(9)14/h2-5H,6-7H2,1H3,(H2,15,17)(H,16,20)
InChIKeyMYNIMBHVEBJETO-UHFFFAOYSA-N
MW371.88 g/mol
LogP1.96
Rot. Bonds6

About 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)acetamide

2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)acetamide (PubChem CID 8633568) has the molecular formula C13H14ClN5O2S2 and a molecular weight of 371.88 g/mol. Its IUPAC name is 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)acetamide
PubChem CID8633568
Molecular FormulaC13H14ClN5O2S2
Molecular Weight371.88 g/mol
Exact Mass371.03
IUPAC Name2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C13H14ClN5O2S2/c1-19(11(21)7-22-13-18-17-12(15)23-13)6-10(20)16-9-5-3-2-4-8(9)14/h2-5H,6-7H2,1H3,(H2,15,17)(H,16,20)
InChIKeyMYNIMBHVEBJETO-UHFFFAOYSA-N
XLogP1.96
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.88
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)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-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)acetamide (CID 8633568) is 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)acetamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The InChIKey is MYNIMBHVEBJETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2S2/c1-19(11(21)7-22-13-18-17-12(15)23-13)6-10(20)16-9-5-3-2-4-8(9)14/h2-5H,6-7H2,1H3,(H2,15,17)(H,16,20).
What are the key properties of 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)acetamide?
2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)acetamide has a molecular weight of 371.88 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 8633568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).