2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-amine

C12H13N3S — CID 98468291

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-amine
SMILESNc1csc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C12H13N3S/c13-11-8-16-12(14-11)15-6-5-9-3-1-2-4-10(9)7-15/h1-4,8H,5-7,13H2
InChIKeyVEMOJVHWYJZWFV-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.29
Rot. Bonds1

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-amine

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-amine (PubChem CID 98468291) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-amine
PubChem CID98468291
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-amine
SMILESNc1csc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C12H13N3S/c13-11-8-16-12(14-11)15-6-5-9-3-1-2-4-10(9)7-15/h1-4,8H,5-7,13H2
InChIKeyVEMOJVHWYJZWFV-UHFFFAOYSA-N
XLogP2.29
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole
CID 702908
4-bromo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazole
CID 79398939
2-amino-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527843
[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-dithiazol-3-ylidene]-dimethylazanium
CID 3812203
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine
CID 59868746
5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80652373
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine
CID 18326759
2-phenyl-3,4-dihydro-1H-isoquinoline
CID 11321753
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine
CID 80767136
4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
CID 1484265
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine
CID 80749587
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine
CID 16783390

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-amine (CID 98468291) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-amine is Nc1csc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-amine?
The InChIKey is VEMOJVHWYJZWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c13-11-8-16-12(14-11)15-6-5-9-3-1-2-4-10(9)7-15/h1-4,8H,5-7,13H2.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-amine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-amine has a molecular weight of 231.32 g/mol, XLogP of 2.29, 1 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)-1,3-thiazol-4-amine is sourced from PubChem (CID 98468291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).