1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one

C15H17N3OS — CID 649679

IUPAC1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCc2cc(-c3csc(N)n3)ccc21
InChIInChI=1S/C15H17N3OS/c1-9(2)14(19)18-6-5-11-7-10(3-4-13(11)18)12-8-20-15(16)17-12/h3-4,7-9H,5-6H2,1-2H3,(H2,16,17)
InChIKeyAKPUNMZEIIAZFH-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.94
Rot. Bonds2

About 1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one

1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one (PubChem CID 649679) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
PubChem CID649679
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCc2cc(-c3csc(N)n3)ccc21
InChIInChI=1S/C15H17N3OS/c1-9(2)14(19)18-6-5-11-7-10(3-4-13(11)18)12-8-20-15(16)17-12/h3-4,7-9H,5-6H2,1-2H3,(H2,16,17)
InChIKeyAKPUNMZEIIAZFH-UHFFFAOYSA-N
XLogP2.94
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one (CID 649679) is 1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCc2cc(-c3csc(N)n3)ccc21.
What is the InChIKey of 1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one?
The InChIKey is AKPUNMZEIIAZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-9(2)14(19)18-6-5-11-7-10(3-4-13(11)18)12-8-20-15(16)17-12/h3-4,7-9H,5-6H2,1-2H3,(H2,16,17).
What are the key properties of 1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one?
1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one has a molecular weight of 287.39 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 649679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).