N-(1',4-diacetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide

C16H16N4O4S — CID 3155465

IUPACN-(1',4-diacetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C2(S1)C(=O)N(C(C)=O)c1ccc(C)cc12
InChIInChI=1S/C16H16N4O4S/c1-8-5-6-13-12(7-8)16(14(24)19(13)10(3)22)20(11(4)23)18-15(25-16)17-9(2)21/h5-7H,1-4H3,(H,17,18,21)
InChIKeyGBQQFYGFAGYPFV-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.04
Rot. Bonds

About N-(1',4-diacetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide

N-(1',4-diacetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide (PubChem CID 3155465) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is N-(1',4-diacetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.

Molecular Properties

Compound NameN-(1',4-diacetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
PubChem CID3155465
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC NameN-(1',4-diacetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C2(S1)C(=O)N(C(C)=O)c1ccc(C)cc12
InChIInChI=1S/C16H16N4O4S/c1-8-5-6-13-12(7-8)16(14(24)19(13)10(3)22)20(11(4)23)18-15(25-16)17-9(2)21/h5-7H,1-4H3,(H,17,18,21)
InChIKeyGBQQFYGFAGYPFV-UHFFFAOYSA-N
XLogP1.04
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1',4-diacetyl-5'-methyl-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-(1',4-diacetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The IUPAC name of N-(1',4-diacetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide (CID 3155465) is N-(1',4-diacetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.
What is the SMILES notation for N-(1',4-diacetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The canonical SMILES for N-(1',4-diacetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide is CC(=O)NC1=NN(C(C)=O)C2(S1)C(=O)N(C(C)=O)c1ccc(C)cc12.
What is the InChIKey of N-(1',4-diacetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The InChIKey is GBQQFYGFAGYPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-8-5-6-13-12(7-8)16(14(24)19(13)10(3)22)20(11(4)23)18-15(25-16)17-9(2)21/h5-7H,1-4H3,(H,17,18,21).
What are the key properties of N-(1',4-diacetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
N-(1',4-diacetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide has a molecular weight of 360.40 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1',4-diacetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide is sourced from PubChem (CID 3155465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).