4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole

C14H13N5S — CID 114803064

IUPAC4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole
SMILESc1cc2c(cc1-c1csc(-c3cn[nH]n3)n1)CCNC2
InChIInChI=1S/C14H13N5S/c1-2-11-6-15-4-3-9(11)5-10(1)13-8-20-14(17-13)12-7-16-19-18-12/h1-2,5,7-8,15H,3-4,6H2,(H,16,18,19)
InChIKeyCSARAIKUUMWWJC-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.24
Rot. Bonds2

About 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole

4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole (PubChem CID 114803064) has the molecular formula C14H13N5S and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole
PubChem CID114803064
Molecular FormulaC14H13N5S
Molecular Weight283.36 g/mol
Exact Mass283.09
IUPAC Name4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole
SMILESc1cc2c(cc1-c1csc(-c3cn[nH]n3)n1)CCNC2
InChIInChI=1S/C14H13N5S/c1-2-11-6-15-4-3-9(11)5-10(1)13-8-20-14(17-13)12-7-16-19-18-12/h1-2,5,7-8,15H,3-4,6H2,(H,16,18,19)
InChIKeyCSARAIKUUMWWJC-UHFFFAOYSA-N
XLogP2.24
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole with MolForge

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Related Compounds

[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol
CID 114803051
2-cyclopentyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole
CID 114803011
N,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine
CID 114802987
2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole
CID 114803070
2-(oxan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole
CID 114803063
7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 58416433
1,2,3,4-tetrahydroisoquinoline;hydroiodide
CID 141050859
4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazole
CID 166525760
[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol
CID 71998381
3-[4-[4-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,3-thiazol-2-yl]phenyl]propanoic acid;hydrochloride
CID 67762406
5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine;hydrochloride
CID 175909095
6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline
CID 175819836

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole?
The IUPAC name of 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole (CID 114803064) is 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole?
The canonical SMILES for 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole is c1cc2c(cc1-c1csc(-c3cn[nH]n3)n1)CCNC2.
What is the InChIKey of 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole?
The InChIKey is CSARAIKUUMWWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5S/c1-2-11-6-15-4-3-9(11)5-10(1)13-8-20-14(17-13)12-7-16-19-18-12/h1-2,5,7-8,15H,3-4,6H2,(H,16,18,19).
What are the key properties of 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole?
4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole has a molecular weight of 283.36 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 114803064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).