2-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-indol-4-one

C15H18N2OS — CID 63240294

IUPAC2-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-indol-4-one
SMILESCc1csc(CCn2c(C)cc3c2CCCC3=O)n1
InChIInChI=1S/C15H18N2OS/c1-10-9-19-15(16-10)6-7-17-11(2)8-12-13(17)4-3-5-14(12)18/h8-9H,3-7H2,1-2H3
InChIKeyHKNHPPSOTIUZOB-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.32
Rot. Bonds3

About 2-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-indol-4-one

2-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 63240294) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name2-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-indol-4-one
PubChem CID63240294
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-indol-4-one
SMILESCc1csc(CCn2c(C)cc3c2CCCC3=O)n1
InChIInChI=1S/C15H18N2OS/c1-10-9-19-15(16-10)6-7-17-11(2)8-12-13(17)4-3-5-14(12)18/h8-9H,3-7H2,1-2H3
InChIKeyHKNHPPSOTIUZOB-UHFFFAOYSA-N
XLogP3.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 2-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-indol-4-one (CID 63240294) is 2-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 2-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 2-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-indol-4-one is Cc1csc(CCn2c(C)cc3c2CCCC3=O)n1.
What is the InChIKey of 2-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is HKNHPPSOTIUZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-9-19-15(16-10)6-7-17-11(2)8-12-13(17)4-3-5-14(12)18/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-indol-4-one?
2-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 274.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 63240294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).