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

C15H14N4O4S — CID 3152074

IUPACN-(1',4-diacetyl-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)c1ccccc12
InChIInChI=1S/C15H14N4O4S/c1-8(20)16-14-17-19(10(3)22)15(24-14)11-6-4-5-7-12(11)18(9(2)21)13(15)23/h4-7H,1-3H3,(H,16,17,20)
InChIKeyBMSLBMAGYOPAKG-UHFFFAOYSA-N
MW346.37 g/mol
LogP0.73
Rot. Bonds

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

N-(1',4-diacetyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide (PubChem CID 3152074) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is N-(1',4-diacetyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.

Molecular Properties

Compound NameN-(1',4-diacetyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
PubChem CID3152074
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC NameN-(1',4-diacetyl-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)c1ccccc12
InChIInChI=1S/C15H14N4O4S/c1-8(20)16-14-17-19(10(3)22)15(24-14)11-6-4-5-7-12(11)18(9(2)21)13(15)23/h4-7H,1-3H3,(H,16,17,20)
InChIKeyBMSLBMAGYOPAKG-UHFFFAOYSA-N
XLogP0.73
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1',4-diacetyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The IUPAC name of N-(1',4-diacetyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide (CID 3152074) is N-(1',4-diacetyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.
What is the SMILES notation for N-(1',4-diacetyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The canonical SMILES for N-(1',4-diacetyl-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)c1ccccc12.
What is the InChIKey of N-(1',4-diacetyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The InChIKey is BMSLBMAGYOPAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S/c1-8(20)16-14-17-19(10(3)22)15(24-14)11-6-4-5-7-12(11)18(9(2)21)13(15)23/h4-7H,1-3H3,(H,16,17,20).
What are the key properties of N-(1',4-diacetyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
N-(1',4-diacetyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide has a molecular weight of 346.37 g/mol, XLogP of 0.73, 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-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide is sourced from PubChem (CID 3152074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).