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

C17H20N4O3S — CID 3155474

IUPACN-(4-acetyl-1',5'-diethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
SMILESCCc1ccc2c(c1)C1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2CC
InChIInChI=1S/C17H20N4O3S/c1-5-12-7-8-14-13(9-12)17(15(24)20(14)6-2)21(11(4)23)19-16(25-17)18-10(3)22/h7-9H,5-6H2,1-4H3,(H,18,19,22)
InChIKeyYWRQMEUICARAFI-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.77
Rot. Bonds2

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

N-(4-acetyl-1',5'-diethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide (PubChem CID 3155474) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(4-acetyl-1',5'-diethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-1',5'-diethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
PubChem CID3155474
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-(4-acetyl-1',5'-diethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
SMILESCCc1ccc2c(c1)C1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2CC
InChIInChI=1S/C17H20N4O3S/c1-5-12-7-8-14-13(9-12)17(15(24)20(14)6-2)21(11(4)23)19-16(25-17)18-10(3)22/h7-9H,5-6H2,1-4H3,(H,18,19,22)
InChIKeyYWRQMEUICARAFI-UHFFFAOYSA-N
XLogP1.77
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-acetyl-1',5'-diethyl-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-1',5'-diethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The IUPAC name of N-(4-acetyl-1',5'-diethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide (CID 3155474) is N-(4-acetyl-1',5'-diethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.
What is the SMILES notation for N-(4-acetyl-1',5'-diethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The canonical SMILES for N-(4-acetyl-1',5'-diethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide is CCc1ccc2c(c1)C1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2CC.
What is the InChIKey of N-(4-acetyl-1',5'-diethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The InChIKey is YWRQMEUICARAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-5-12-7-8-14-13(9-12)17(15(24)20(14)6-2)21(11(4)23)19-16(25-17)18-10(3)22/h7-9H,5-6H2,1-4H3,(H,18,19,22).
What are the key properties of N-(4-acetyl-1',5'-diethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
N-(4-acetyl-1',5'-diethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide has a molecular weight of 360.44 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1',5'-diethyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide is sourced from PubChem (CID 3155474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).