3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide

C13H12N4O2S — CID 19832363

IUPAC3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide
SMILESCC1(C)C(=O)Nc2cc(C(=O)Nc3nncs3)ccc21
InChIInChI=1S/C13H12N4O2S/c1-13(2)8-4-3-7(5-9(8)15-11(13)19)10(18)16-12-17-14-6-20-12/h3-6H,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyYAEMZTKVYMTOHZ-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.02
Rot. Bonds2

About 3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide

3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide (PubChem CID 19832363) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide
PubChem CID19832363
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide
SMILESCC1(C)C(=O)Nc2cc(C(=O)Nc3nncs3)ccc21
InChIInChI=1S/C13H12N4O2S/c1-13(2)8-4-3-7(5-9(8)15-11(13)19)10(18)16-12-17-14-6-20-12/h3-6H,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyYAEMZTKVYMTOHZ-UHFFFAOYSA-N
XLogP2.02
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-indole-6-carboxamide
CID 19832303
3,3-dimethyl-2-oxo-N-phenyl-1H-indole-6-carboxamide
CID 14624056
3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 739253
N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 14856608
N-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 19832367
N-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 19832350
N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 57261046
N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 138993218
molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 165120783
4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 80973968
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide
CID 130649691

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide?
The IUPAC name of 3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide (CID 19832363) is 3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide.
What is the SMILES notation for 3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide?
The canonical SMILES for 3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide is CC1(C)C(=O)Nc2cc(C(=O)Nc3nncs3)ccc21.
What is the InChIKey of 3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide?
The InChIKey is YAEMZTKVYMTOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-13(2)8-4-3-7(5-9(8)15-11(13)19)10(18)16-12-17-14-6-20-12/h3-6H,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of 3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide?
3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide is sourced from PubChem (CID 19832363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).