5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one

C20H18N2OS — CID 9421508

IUPAC5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one
SMILESCCc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)cc1
InChIInChI=1S/C20H18N2OS/c1-3-13-4-6-14(7-5-13)20-21-17(12-24-20)15-8-9-18-16(10-15)11-19(23)22(18)2/h4-10,12H,3,11H2,1-2H3
InChIKeyUFRRTEFDSRMJIJ-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.56
Rot. Bonds3

About 5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one

5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one (PubChem CID 9421508) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one
PubChem CID9421508
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one
SMILESCCc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)cc1
InChIInChI=1S/C20H18N2OS/c1-3-13-4-6-14(7-5-13)20-21-17(12-24-20)15-8-9-18-16(10-15)11-19(23)22(18)2/h4-10,12H,3,11H2,1-2H3
InChIKeyUFRRTEFDSRMJIJ-UHFFFAOYSA-N
XLogP4.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one (CID 9421508) is 5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one is CCc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)cc1.
What is the InChIKey of 5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one?
The InChIKey is UFRRTEFDSRMJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-3-13-4-6-14(7-5-13)20-21-17(12-24-20)15-8-9-18-16(10-15)11-19(23)22(18)2/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one?
5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one has a molecular weight of 334.44 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 9421508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).