7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one

C14H15N3OS — CID 82104894

IUPAC7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one
SMILESCCc1cc(-c2csc(N)n2)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C14H15N3OS/c1-3-8-4-9-7(2)13(18)17-12(9)10(5-8)11-6-19-14(15)16-11/h4-7H,3H2,1-2H3,(H2,15,16)(H,17,18)
InChIKeyIXLLRBQEOGATBI-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.01
Rot. Bonds2

About 7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one

7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82104894) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one
PubChem CID82104894
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one
SMILESCCc1cc(-c2csc(N)n2)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C14H15N3OS/c1-3-8-4-9-7(2)13(18)17-12(9)10(5-8)11-6-19-14(15)16-11/h4-7H,3H2,1-2H3,(H2,15,16)(H,17,18)
InChIKeyIXLLRBQEOGATBI-UHFFFAOYSA-N
XLogP3.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one (CID 82104894) is 7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one is CCc1cc(-c2csc(N)n2)c2c(c1)C(C)C(=O)N2.
What is the InChIKey of 7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is IXLLRBQEOGATBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-3-8-4-9-7(2)13(18)17-12(9)10(5-8)11-6-19-14(15)16-11/h4-7H,3H2,1-2H3,(H2,15,16)(H,17,18).
What are the key properties of 7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one?
7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 273.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82104894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).