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

C16H18N4O3S — CID 3155466

IUPACN-(4-acetyl-1'-ethyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
SMILESCCN1C(=O)C2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)ccc21
InChIInChI=1S/C16H18N4O3S/c1-5-19-13-7-6-9(2)8-12(13)16(14(19)23)20(11(4)22)18-15(24-16)17-10(3)21/h6-8H,5H2,1-4H3,(H,17,18,21)
InChIKeyFRUPUHPNRLDSNX-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.52
Rot. Bonds1

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

N-(4-acetyl-1'-ethyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide (PubChem CID 3155466) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(4-acetyl-1'-ethyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-1'-ethyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
PubChem CID3155466
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-(4-acetyl-1'-ethyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
SMILESCCN1C(=O)C2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)ccc21
InChIInChI=1S/C16H18N4O3S/c1-5-19-13-7-6-9(2)8-12(13)16(14(19)23)20(11(4)22)18-15(24-16)17-10(3)21/h6-8H,5H2,1-4H3,(H,17,18,21)
InChIKeyFRUPUHPNRLDSNX-UHFFFAOYSA-N
XLogP1.52
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1'-ethyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The IUPAC name of N-(4-acetyl-1'-ethyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide (CID 3155466) is N-(4-acetyl-1'-ethyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.
What is the SMILES notation for N-(4-acetyl-1'-ethyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The canonical SMILES for N-(4-acetyl-1'-ethyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide is CCN1C(=O)C2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)ccc21.
What is the InChIKey of N-(4-acetyl-1'-ethyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The InChIKey is FRUPUHPNRLDSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-5-19-13-7-6-9(2)8-12(13)16(14(19)23)20(11(4)22)18-15(24-16)17-10(3)21/h6-8H,5H2,1-4H3,(H,17,18,21).
What are the key properties of N-(4-acetyl-1'-ethyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
N-(4-acetyl-1'-ethyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide has a molecular weight of 346.41 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1'-ethyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide is sourced from PubChem (CID 3155466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).