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

C14H13FN4O3S — CID 3155478

IUPACN-(4-acetyl-5'-fluoro-1'-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)c1ccc(F)cc12
InChIInChI=1S/C14H13FN4O3S/c1-7(20)16-13-17-19(8(2)21)14(23-13)10-6-9(15)4-5-11(10)18(3)12(14)22/h4-6H,1-3H3,(H,16,17,20)
InChIKeyWDWUSCVUHACMJC-UHFFFAOYSA-N
MW336.35 g/mol
LogP0.96
Rot. Bonds

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

N-(4-acetyl-5'-fluoro-1'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide (PubChem CID 3155478) has the molecular formula C14H13FN4O3S and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(4-acetyl-5'-fluoro-1'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-5'-fluoro-1'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
PubChem CID3155478
Molecular FormulaC14H13FN4O3S
Molecular Weight336.35 g/mol
Exact Mass336.07
IUPAC NameN-(4-acetyl-5'-fluoro-1'-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)c1ccc(F)cc12
InChIInChI=1S/C14H13FN4O3S/c1-7(20)16-13-17-19(8(2)21)14(23-13)10-6-9(15)4-5-11(10)18(3)12(14)22/h4-6H,1-3H3,(H,16,17,20)
InChIKeyWDWUSCVUHACMJC-UHFFFAOYSA-N
XLogP0.96
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-5'-fluoro-1'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The IUPAC name of N-(4-acetyl-5'-fluoro-1'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide (CID 3155478) is N-(4-acetyl-5'-fluoro-1'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.
What is the SMILES notation for N-(4-acetyl-5'-fluoro-1'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The canonical SMILES for N-(4-acetyl-5'-fluoro-1'-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)c1ccc(F)cc12.
What is the InChIKey of N-(4-acetyl-5'-fluoro-1'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The InChIKey is WDWUSCVUHACMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O3S/c1-7(20)16-13-17-19(8(2)21)14(23-13)10-6-9(15)4-5-11(10)18(3)12(14)22/h4-6H,1-3H3,(H,16,17,20).
What are the key properties of N-(4-acetyl-5'-fluoro-1'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
N-(4-acetyl-5'-fluoro-1'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide has a molecular weight of 336.35 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-5'-fluoro-1'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide is sourced from PubChem (CID 3155478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).