N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)thiadiazole-4-carboxamide

C13H12N4O2S — CID 14476428

IUPACN-(3,3-dimethyl-2-oxo-1H-indol-6-yl)thiadiazole-4-carboxamide
SMILESCC1(C)C(=O)Nc2cc(NC(=O)c3csnn3)ccc21
InChIInChI=1S/C13H12N4O2S/c1-13(2)8-4-3-7(5-9(8)15-12(13)19)14-11(18)10-6-20-17-16-10/h3-6H,1-2H3,(H,14,18)(H,15,19)
InChIKeyRLBRHNMYPPMLNY-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.02
Rot. Bonds2

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

N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)thiadiazole-4-carboxamide (PubChem CID 14476428) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxo-1H-indol-6-yl)thiadiazole-4-carboxamide
PubChem CID14476428
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-(3,3-dimethyl-2-oxo-1H-indol-6-yl)thiadiazole-4-carboxamide
SMILESCC1(C)C(=O)Nc2cc(NC(=O)c3csnn3)ccc21
InChIInChI=1S/C13H12N4O2S/c1-13(2)8-4-3-7(5-9(8)15-12(13)19)14-11(18)10-6-20-17-16-10/h3-6H,1-2H3,(H,14,18)(H,15,19)
InChIKeyRLBRHNMYPPMLNY-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

N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 14856608
N-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide
CID 61068672
3,3-dimethyl-2-oxo-N-phenyl-1H-indole-6-carboxamide
CID 14624056
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)pyrazine-2-carboxamide
CID 110667759
N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide
CID 71918391
phenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate
CID 54087633
N-(2,3-dihydro-1H-indol-5-yl)thiadiazole-4-carboxamide
CID 65216392
N-(4-ethylphenyl)thiadiazole-4-carboxamide
CID 1454928
2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid
CID 65214129
1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea
CID 14476472
5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid
CID 65214706
3,4-dichloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)benzamide
CID 110405719

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)thiadiazole-4-carboxamide?
The IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)thiadiazole-4-carboxamide (CID 14476428) is N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)thiadiazole-4-carboxamide is CC1(C)C(=O)Nc2cc(NC(=O)c3csnn3)ccc21.
What is the InChIKey of N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)thiadiazole-4-carboxamide?
The InChIKey is RLBRHNMYPPMLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-13(2)8-4-3-7(5-9(8)15-12(13)19)14-11(18)10-6-20-17-16-10/h3-6H,1-2H3,(H,14,18)(H,15,19).
What are the key properties of N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)thiadiazole-4-carboxamide?
N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)thiadiazole-4-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 N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)thiadiazole-4-carboxamide is sourced from PubChem (CID 14476428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).