5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole

C14H12N4OS — CID 104915425

IUPAC5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CN[C@@H](c1nc(-c3cscn3)no1)C2
InChIInChI=1S/C14H12N4OS/c1-2-4-10-6-15-11(5-9(10)3-1)14-17-13(18-19-14)12-7-20-8-16-12/h1-4,7-8,11,15H,5-6H2/t11-/m1/s1
InChIKeyGQFWTWLNRGAIJQ-LLVKDONJSA-N
MW284.34 g/mol
LogP2.58
Rot. Bonds2

About 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole

5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole (PubChem CID 104915425) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
PubChem CID104915425
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CN[C@@H](c1nc(-c3cscn3)no1)C2
InChIInChI=1S/C14H12N4OS/c1-2-4-10-6-15-11(5-9(10)3-1)14-17-13(18-19-14)12-7-20-8-16-12/h1-4,7-8,11,15H,5-6H2/t11-/m1/s1
InChIKeyGQFWTWLNRGAIJQ-LLVKDONJSA-N
XLogP2.58
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 104899267
5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 28539833
3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole
CID 65196042
3-(1-methylcyclopropyl)-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole
CID 104895668
5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790405
5-(4-ethylpiperidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 114429964
3-butyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole
CID 79404336
N,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine
CID 116806191
3-(1,4-dithian-2-yl)-5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole
CID 104915398
3-(methylsulfonylmethyl)-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole
CID 104895631
N-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790954
3-(3-methoxypropyl)-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole
CID 104895641

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole (CID 104915425) is 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole is c1ccc2c(c1)CN[C@@H](c1nc(-c3cscn3)no1)C2.
What is the InChIKey of 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is GQFWTWLNRGAIJQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-2-4-10-6-15-11(5-9(10)3-1)14-17-13(18-19-14)12-7-20-8-16-12/h1-4,7-8,11,15H,5-6H2/t11-/m1/s1.
What are the key properties of 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole?
5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 284.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 104915425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).