2-[(2-propyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine

C16H21N3S — CID 114524007

IUPAC2-[(2-propyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCCCc1nc(CN2CCc3cccc(N)c3C2)cs1
InChIInChI=1S/C16H21N3S/c1-2-4-16-18-13(11-20-16)9-19-8-7-12-5-3-6-15(17)14(12)10-19/h3,5-6,11H,2,4,7-10,17H2,1H3
InChIKeyFBAKEIJIDIWVHH-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.24
Rot. Bonds4

About 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine

2-[(2-propyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114524007) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-[(2-propyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114524007
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-[(2-propyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCCCc1nc(CN2CCc3cccc(N)c3C2)cs1
InChIInChI=1S/C16H21N3S/c1-2-4-16-18-13(11-20-16)9-19-8-7-12-5-3-6-15(17)14(12)10-19/h3,5-6,11H,2,4,7-10,17H2,1H3
InChIKeyFBAKEIJIDIWVHH-UHFFFAOYSA-N
XLogP3.24
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114556435
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
2-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522622
2-[(3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522494
4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 71879328
2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581881
2-[(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile
CID 114523963
2-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114521933
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920780
2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522644
2-[(4-amino-3-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine;hydrochloride
CID 118705147
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522540

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine (CID 114524007) is 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine is CCCc1nc(CN2CCc3cccc(N)c3C2)cs1.
What is the InChIKey of 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is FBAKEIJIDIWVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-2-4-16-18-13(11-20-16)9-19-8-7-12-5-3-6-15(17)14(12)10-19/h3,5-6,11H,2,4,7-10,17H2,1H3.
What are the key properties of 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine?
2-[(2-propyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 287.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114524007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).