3-(2,3-dihydroindol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine

C16H21N3S — CID 115708238

IUPAC3-(2,3-dihydroindol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCC(NCCCN1CCc2ccccc21)c1cncs1
InChIInChI=1S/C16H21N3S/c1-13(16-11-17-12-20-16)18-8-4-9-19-10-7-14-5-2-3-6-15(14)19/h2-3,5-6,11-13,18H,4,7-10H2,1H3
InChIKeyLKBJMOROUUDUKO-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.25
Rot. Bonds6

About 3-(2,3-dihydroindol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine

3-(2,3-dihydroindol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 115708238) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID115708238
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name3-(2,3-dihydroindol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCC(NCCCN1CCc2ccccc21)c1cncs1
InChIInChI=1S/C16H21N3S/c1-13(16-11-17-12-20-16)18-8-4-9-19-10-7-14-5-2-3-6-15(14)19/h2-3,5-6,11-13,18H,4,7-10H2,1H3
InChIKeyLKBJMOROUUDUKO-UHFFFAOYSA-N
XLogP3.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine
CID 115900693
N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine
CID 43111286
N'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441271
3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115707940
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
1-butyl-2,3-dihydroindole
CID 4167209
(2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95140193
N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492
N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
CID 60867490
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
3-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569832
N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine
CID 115897434

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 115708238) is 3-(2,3-dihydroindol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine is CC(NCCCN1CCc2ccccc21)c1cncs1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is LKBJMOROUUDUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-13(16-11-17-12-20-16)18-8-4-9-19-10-7-14-5-2-3-6-15(14)19/h2-3,5-6,11-13,18H,4,7-10H2,1H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
3-(2,3-dihydroindol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115708238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).