N-(4-acetyl-5'-chloro-1'-ethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide

C15H15ClN4O3S — CID 3159338

IUPACN-(4-acetyl-5'-chloro-1'-ethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
SMILESCCN1C(=O)C2(SC(NC(C)=O)=NN2C(C)=O)c2cc(Cl)ccc21
InChIInChI=1S/C15H15ClN4O3S/c1-4-19-12-6-5-10(16)7-11(12)15(13(19)23)20(9(3)22)18-14(24-15)17-8(2)21/h5-7H,4H2,1-3H3,(H,17,18,21)
InChIKeyAXMZEEYAZBBSCG-UHFFFAOYSA-N
MW366.83 g/mol
LogP1.86
Rot. Bonds1

About N-(4-acetyl-5'-chloro-1'-ethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide

N-(4-acetyl-5'-chloro-1'-ethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide (PubChem CID 3159338) has the molecular formula C15H15ClN4O3S and a molecular weight of 366.83 g/mol. Its IUPAC name is N-(4-acetyl-5'-chloro-1'-ethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-5'-chloro-1'-ethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
PubChem CID3159338
Molecular FormulaC15H15ClN4O3S
Molecular Weight366.83 g/mol
Exact Mass366.06
IUPAC NameN-(4-acetyl-5'-chloro-1'-ethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
SMILESCCN1C(=O)C2(SC(NC(C)=O)=NN2C(C)=O)c2cc(Cl)ccc21
InChIInChI=1S/C15H15ClN4O3S/c1-4-19-12-6-5-10(16)7-11(12)15(13(19)23)20(9(3)22)18-14(24-15)17-8(2)21/h5-7H,4H2,1-3H3,(H,17,18,21)
InChIKeyAXMZEEYAZBBSCG-UHFFFAOYSA-N
XLogP1.86
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-acetyl-5'-chloro-1'-ethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)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 N-(4-acetyl-5'-chloro-1'-ethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The IUPAC name of N-(4-acetyl-5'-chloro-1'-ethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide (CID 3159338) is N-(4-acetyl-5'-chloro-1'-ethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.
What is the SMILES notation for N-(4-acetyl-5'-chloro-1'-ethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The canonical SMILES for N-(4-acetyl-5'-chloro-1'-ethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide is CCN1C(=O)C2(SC(NC(C)=O)=NN2C(C)=O)c2cc(Cl)ccc21.
What is the InChIKey of N-(4-acetyl-5'-chloro-1'-ethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The InChIKey is AXMZEEYAZBBSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3S/c1-4-19-12-6-5-10(16)7-11(12)15(13(19)23)20(9(3)22)18-14(24-15)17-8(2)21/h5-7H,4H2,1-3H3,(H,17,18,21).
What are the key properties of N-(4-acetyl-5'-chloro-1'-ethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
N-(4-acetyl-5'-chloro-1'-ethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide has a molecular weight of 366.83 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-5'-chloro-1'-ethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide is sourced from PubChem (CID 3159338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).