2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane

C16H23N3S — CID 144898615

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane
SMILESCC.NCC(c1cscn1)N1CCc2ccccc2C1
InChIInChI=1S/C14H17N3S.C2H6/c15-7-14(13-9-18-10-16-13)17-6-5-11-3-1-2-4-12(11)8-17;1-2/h1-4,9-10,14H,5-8,15H2;1-2H3
InChIKeyFTEDTMMITUBJBQ-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.23
Rot. Bonds3

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane

2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane (PubChem CID 144898615) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane
PubChem CID144898615
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane
SMILESCC.NCC(c1cscn1)N1CCc2ccccc2C1
InChIInChI=1S/C14H17N3S.C2H6/c15-7-14(13-9-18-10-16-13)17-6-5-11-3-1-2-4-12(11)8-17;1-2/h1-4,9-10,14H,5-8,15H2;1-2H3
InChIKeyFTEDTMMITUBJBQ-UHFFFAOYSA-N
XLogP3.23
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane (CID 144898615) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane is CC.NCC(c1cscn1)N1CCc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane?
The InChIKey is FTEDTMMITUBJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S.C2H6/c15-7-14(13-9-18-10-16-13)17-6-5-11-3-1-2-4-12(11)8-17;1-2/h1-4,9-10,14H,5-8,15H2;1-2H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane has a molecular weight of 289.45 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane is sourced from PubChem (CID 144898615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).