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

C16H19N3OS — CID 3231177

IUPAC1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCc2cc(-c3csc(N)n3)ccc21
InChIInChI=1S/C16H19N3OS/c1-16(2,3)14(20)19-7-6-11-8-10(4-5-13(11)19)12-9-21-15(17)18-12/h4-5,8-9H,6-7H2,1-3H3,(H2,17,18)
InChIKeyAAEXTICMMYDGTO-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.33
Rot. Bonds1

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

1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 3231177) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropan-1-one
PubChem CID3231177
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCc2cc(-c3csc(N)n3)ccc21
InChIInChI=1S/C16H19N3OS/c1-16(2,3)14(20)19-7-6-11-8-10(4-5-13(11)19)12-9-21-15(17)18-12/h4-5,8-9H,6-7H2,1-3H3,(H2,17,18)
InChIKeyAAEXTICMMYDGTO-UHFFFAOYSA-N
XLogP3.33
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.33
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]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropan-1-one (CID 3231177) is 1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropan-1-one is CC(C)(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]-2,2-dimethylpropan-1-one?
The InChIKey is AAEXTICMMYDGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-16(2,3)14(20)19-7-6-11-8-10(4-5-13(11)19)12-9-21-15(17)18-12/h4-5,8-9H,6-7H2,1-3H3,(H2,17,18).
What are the key properties of 1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropan-1-one?
1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 301.42 g/mol, XLogP of 3.33, 1 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]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 3231177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).