2,6,6-trimethyl-1-(thiadiazol-5-yl)-5,7-dihydroindol-4-one

C13H15N3OS — CID 107649034

IUPAC2,6,6-trimethyl-1-(thiadiazol-5-yl)-5,7-dihydroindol-4-one
SMILESCc1cc2c(n1-c1cnns1)CC(C)(C)CC2=O
InChIInChI=1S/C13H15N3OS/c1-8-4-9-10(5-13(2,3)6-11(9)17)16(8)12-7-14-15-18-12/h4,7H,5-6H2,1-3H3
InChIKeySSKFFLPLQABOTK-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.79
Rot. Bonds1

About 2,6,6-trimethyl-1-(thiadiazol-5-yl)-5,7-dihydroindol-4-one

2,6,6-trimethyl-1-(thiadiazol-5-yl)-5,7-dihydroindol-4-one (PubChem CID 107649034) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-(thiadiazol-5-yl)-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name2,6,6-trimethyl-1-(thiadiazol-5-yl)-5,7-dihydroindol-4-one
PubChem CID107649034
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2,6,6-trimethyl-1-(thiadiazol-5-yl)-5,7-dihydroindol-4-one
SMILESCc1cc2c(n1-c1cnns1)CC(C)(C)CC2=O
InChIInChI=1S/C13H15N3OS/c1-8-4-9-10(5-13(2,3)6-11(9)17)16(8)12-7-14-15-18-12/h4,7H,5-6H2,1-3H3
InChIKeySSKFFLPLQABOTK-UHFFFAOYSA-N
XLogP2.79
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,6,6-trimethyl-1-(thiadiazol-5-yl)-5,7-dihydroindol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267549
2,6,6-trimethyl-1-(1,2,4-triazin-3-yl)-5,7-dihydroindol-4-one
CID 114389230
1-(1,3-dimethylpyrazol-4-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 102807165
1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 114389225
1-(3,4-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 3247774
1-(2-bromophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267556
1-(3-bromo-5-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 107577908
1-(2,4-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267551
1-(3-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 63466771
1-(4-fluoro-3-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 63467131
1-(2-chloro-4-iodophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 107605981
1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267575

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-(thiadiazol-5-yl)-5,7-dihydroindol-4-one?
The IUPAC name of 2,6,6-trimethyl-1-(thiadiazol-5-yl)-5,7-dihydroindol-4-one (CID 107649034) is 2,6,6-trimethyl-1-(thiadiazol-5-yl)-5,7-dihydroindol-4-one.
What is the SMILES notation for 2,6,6-trimethyl-1-(thiadiazol-5-yl)-5,7-dihydroindol-4-one?
The canonical SMILES for 2,6,6-trimethyl-1-(thiadiazol-5-yl)-5,7-dihydroindol-4-one is Cc1cc2c(n1-c1cnns1)CC(C)(C)CC2=O.
What is the InChIKey of 2,6,6-trimethyl-1-(thiadiazol-5-yl)-5,7-dihydroindol-4-one?
The InChIKey is SSKFFLPLQABOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-4-9-10(5-13(2,3)6-11(9)17)16(8)12-7-14-15-18-12/h4,7H,5-6H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-1-(thiadiazol-5-yl)-5,7-dihydroindol-4-one?
2,6,6-trimethyl-1-(thiadiazol-5-yl)-5,7-dihydroindol-4-one has a molecular weight of 261.35 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-(thiadiazol-5-yl)-5,7-dihydroindol-4-one is sourced from PubChem (CID 107649034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).