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

C15H17N3OS — CID 82104908

IUPAC5-(2-amino-5-methyl-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one
SMILESCc1cc(-c2nc(N)sc2C)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C15H17N3OS/c1-7-5-9(12-8(2)20-14(16)18-12)6-10-11(7)17-13(19)15(10,3)4/h5-6H,1-4H3,(H2,16,18)(H,17,19)
InChIKeyFDTRTQSDVNMZTA-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.24
Rot. Bonds1

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

5-(2-amino-5-methyl-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one (PubChem CID 82104908) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-(2-amino-5-methyl-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(2-amino-5-methyl-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one
PubChem CID82104908
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name5-(2-amino-5-methyl-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one
SMILESCc1cc(-c2nc(N)sc2C)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C15H17N3OS/c1-7-5-9(12-8(2)20-14(16)18-12)6-10-11(7)17-13(19)15(10,3)4/h5-6H,1-4H3,(H2,16,18)(H,17,19)
InChIKeyFDTRTQSDVNMZTA-UHFFFAOYSA-N
XLogP3.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-methyl-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one?
The IUPAC name of 5-(2-amino-5-methyl-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one (CID 82104908) is 5-(2-amino-5-methyl-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one.
What is the SMILES notation for 5-(2-amino-5-methyl-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one?
The canonical SMILES for 5-(2-amino-5-methyl-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one is Cc1cc(-c2nc(N)sc2C)cc2c1NC(=O)C2(C)C.
What is the InChIKey of 5-(2-amino-5-methyl-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one?
The InChIKey is FDTRTQSDVNMZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-7-5-9(12-8(2)20-14(16)18-12)6-10-11(7)17-13(19)15(10,3)4/h5-6H,1-4H3,(H2,16,18)(H,17,19).
What are the key properties of 5-(2-amino-5-methyl-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one?
5-(2-amino-5-methyl-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one has a molecular weight of 287.39 g/mol, XLogP of 3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-methyl-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one is sourced from PubChem (CID 82104908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).