2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone

C14H15N3OS — CID 94282565

IUPAC2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESNCc1nc(CC(=O)N2CCc3ccccc32)cs1
InChIInChI=1S/C14H15N3OS/c15-8-13-16-11(9-19-13)7-14(18)17-6-5-10-3-1-2-4-12(10)17/h1-4,9H,5-8,15H2
InChIKeyFSTHQJYDMSSLIM-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.73
Rot. Bonds3

About 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 94282565) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID94282565
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESNCc1nc(CC(=O)N2CCc3ccccc32)cs1
InChIInChI=1S/C14H15N3OS/c15-8-13-16-11(9-19-13)7-14(18)17-6-5-10-3-1-2-4-12(10)17/h1-4,9H,5-8,15H2
InChIKeyFSTHQJYDMSSLIM-UHFFFAOYSA-N
XLogP1.73
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 110484520
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43138079
N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41227760
3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110330168
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethanone
CID 110342119
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 31013731
ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883899
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(azepan-1-yl)ethanone
CID 82119937
2-(2-amino-1,3-thiazol-4-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103495292
1-(4-bromo-2,3-dihydroindol-1-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 171483114
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone
CID 110462924

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone (CID 94282565) is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone is NCc1nc(CC(=O)N2CCc3ccccc32)cs1.
What is the InChIKey of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is FSTHQJYDMSSLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c15-8-13-16-11(9-19-13)7-14(18)17-6-5-10-3-1-2-4-12(10)17/h1-4,9H,5-8,15H2.
What are the key properties of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 273.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 94282565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).