6,6-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydroindol-4-one

C16H20N2OS — CID 106039210

IUPAC6,6-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydroindol-4-one
SMILESCc1nc(CCn2ccc3c2CC(C)(C)CC3=O)cs1
InChIInChI=1S/C16H20N2OS/c1-11-17-12(10-20-11)4-6-18-7-5-13-14(18)8-16(2,3)9-15(13)19/h5,7,10H,4,6,8-9H2,1-3H3
InChIKeyILTQFYPEJQJRCD-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.65
Rot. Bonds3

About 6,6-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydroindol-4-one

6,6-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydroindol-4-one (PubChem CID 106039210) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 6,6-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydroindol-4-one
PubChem CID106039210
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name6,6-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydroindol-4-one
SMILESCc1nc(CCn2ccc3c2CC(C)(C)CC3=O)cs1
InChIInChI=1S/C16H20N2OS/c1-11-17-12(10-20-11)4-6-18-7-5-13-14(18)8-16(2,3)9-15(13)19/h5,7,10H,4,6,8-9H2,1-3H3
InChIKeyILTQFYPEJQJRCD-UHFFFAOYSA-N
XLogP3.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydroindol-4-one?
The IUPAC name of 6,6-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydroindol-4-one (CID 106039210) is 6,6-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydroindol-4-one.
What is the SMILES notation for 6,6-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydroindol-4-one?
The canonical SMILES for 6,6-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydroindol-4-one is Cc1nc(CCn2ccc3c2CC(C)(C)CC3=O)cs1.
What is the InChIKey of 6,6-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydroindol-4-one?
The InChIKey is ILTQFYPEJQJRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-17-12(10-20-11)4-6-18-7-5-13-14(18)8-16(2,3)9-15(13)19/h5,7,10H,4,6,8-9H2,1-3H3.
What are the key properties of 6,6-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydroindol-4-one?
6,6-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydroindol-4-one has a molecular weight of 288.42 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydroindol-4-one is sourced from PubChem (CID 106039210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).