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

C16H19N3OS — CID 655441

IUPAC1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]butan-1-one
SMILESCCCC(=O)N1CCc2cc(-c3nc(N)sc3C)ccc21
InChIInChI=1S/C16H19N3OS/c1-3-4-14(20)19-8-7-11-9-12(5-6-13(11)19)15-10(2)21-16(17)18-15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,17,18)
InChIKeyMCGGSGQMWHQCGO-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.39
Rot. Bonds3

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

1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]butan-1-one (PubChem CID 655441) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]butan-1-one
PubChem CID655441
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]butan-1-one
SMILESCCCC(=O)N1CCc2cc(-c3nc(N)sc3C)ccc21
InChIInChI=1S/C16H19N3OS/c1-3-4-14(20)19-8-7-11-9-12(5-6-13(11)19)15-10(2)21-16(17)18-15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,17,18)
InChIKeyMCGGSGQMWHQCGO-UHFFFAOYSA-N
XLogP3.39
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-tert-Butylamino-thiazol-4-yl)-2,3-dihydro-indol-1-yl]-cyclopropyl-methanone
CID 6487686
(2-Fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
CID 1450294
5-(2-Amino-4-thiazolyl)-1,3-dihydro-2H-indol-2-one
CID 2608761
1-Methyl-5-(2-Methyl-1,3-Thiazol-4-Yl)-1,3-Dihydro-2h-Indol-2-One
CID 9398573
1-[5-(2-Amino-thiazol-4-yl)-2-methyl-2,3-dihydro-indol-1-yl]-butan-1-one
CID 646828
1-[5-(2-Amino-thiazol-4-yl)-2,3-dihydro-indol-1-yl]-2-methyl-propan-1-one
CID 649679
1-[5-(2-Amino-thiazol-4-yl)-2,3-dihydro-indol-1-yl]-2-methyl-butan-1-one
CID 651655
[5-[2-(Methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone
CID 1450301
(3-Fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
CID 1450310
N-{5-Methyl-4-[1-(3-methyl-benzoyl)-2,3-dihydro-1H-indol-5-yl]-thiazol-2-yl}-2-pyrrolidin-1-yl-acetamide
CID 1450536
N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-thiazolyl]acetamide
CID 1458414
N-[4-(1-Methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-thiazol-2-yl]-2-phenyl-acetamide
CID 1458486

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]butan-1-one?
The IUPAC name of 1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]butan-1-one (CID 655441) is 1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]butan-1-one.
What is the SMILES notation for 1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]butan-1-one?
The canonical SMILES for 1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]butan-1-one is CCCC(=O)N1CCc2cc(-c3nc(N)sc3C)ccc21.
What is the InChIKey of 1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]butan-1-one?
The InChIKey is MCGGSGQMWHQCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-3-4-14(20)19-8-7-11-9-12(5-6-13(11)19)15-10(2)21-16(17)18-15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,17,18).
What are the key properties of 1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]butan-1-one?
1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]butan-1-one has a molecular weight of 301.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]butan-1-one is sourced from PubChem (CID 655441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).