3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-1,3-thiazole

C12H14N2S — CID 68983158

IUPAC3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-1,3-thiazole
SMILESC1=CN(C2NCCc3ccccc32)CS1
InChIInChI=1S/C12H14N2S/c1-2-4-11-10(3-1)5-6-13-12(11)14-7-8-15-9-14/h1-4,7-8,12-13H,5-6,9H2
InChIKeyNUMHETCITYLRSM-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.31
Rot. Bonds1

About 3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-1,3-thiazole

3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-1,3-thiazole (PubChem CID 68983158) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-1,3-thiazole
PubChem CID68983158
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-1,3-thiazole
SMILESC1=CN(C2NCCc3ccccc32)CS1
InChIInChI=1S/C12H14N2S/c1-2-4-11-10(3-1)5-6-13-12(11)14-7-8-15-9-14/h1-4,7-8,12-13H,5-6,9H2
InChIKeyNUMHETCITYLRSM-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-1,3-thiazole?
The IUPAC name of 3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-1,3-thiazole (CID 68983158) is 3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-1,3-thiazole.
What is the SMILES notation for 3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-1,3-thiazole?
The canonical SMILES for 3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-1,3-thiazole is C1=CN(C2NCCc3ccccc32)CS1.
What is the InChIKey of 3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-1,3-thiazole?
The InChIKey is NUMHETCITYLRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-2-4-11-10(3-1)5-6-13-12(11)14-7-8-15-9-14/h1-4,7-8,12-13H,5-6,9H2.
What are the key properties of 3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-1,3-thiazole?
3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-1,3-thiazole has a molecular weight of 218.33 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-1,3-thiazole is sourced from PubChem (CID 68983158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).