7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3,3-dimethyl-1H-indol-2-one

C15H17N3OS — CID 82104896

IUPAC7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3,3-dimethyl-1H-indol-2-one
SMILESCCc1cc(-c2csc(N)n2)c2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C15H17N3OS/c1-4-8-5-9(11-7-20-14(16)17-11)12-10(6-8)15(2,3)13(19)18-12/h5-7H,4H2,1-3H3,(H2,16,17)(H,18,19)
InChIKeyVJLBXNFNALYDHP-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.18
Rot. Bonds2

About 7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3,3-dimethyl-1H-indol-2-one

7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3,3-dimethyl-1H-indol-2-one (PubChem CID 82104896) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3,3-dimethyl-1H-indol-2-one
PubChem CID82104896
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3,3-dimethyl-1H-indol-2-one
SMILESCCc1cc(-c2csc(N)n2)c2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C15H17N3OS/c1-4-8-5-9(11-7-20-14(16)17-11)12-10(6-8)15(2,3)13(19)18-12/h5-7H,4H2,1-3H3,(H2,16,17)(H,18,19)
InChIKeyVJLBXNFNALYDHP-UHFFFAOYSA-N
XLogP3.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.18
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-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3,3-dimethyl-1H-indol-2-one (CID 82104896) is 7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3,3-dimethyl-1H-indol-2-one is CCc1cc(-c2csc(N)n2)c2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3,3-dimethyl-1H-indol-2-one?
The InChIKey is VJLBXNFNALYDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-4-8-5-9(11-7-20-14(16)17-11)12-10(6-8)15(2,3)13(19)18-12/h5-7H,4H2,1-3H3,(H2,16,17)(H,18,19).
What are the key properties of 7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3,3-dimethyl-1H-indol-2-one?
7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3,3-dimethyl-1H-indol-2-one has a molecular weight of 287.39 g/mol, XLogP of 3.18, 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-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82104896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).