2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-thiazole

C12H12N2S — CID 135387685

IUPAC2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-thiazole
SMILESc1cc2c(c(-c3nccs3)c1)CCCN2
InChIInChI=1S/C12H12N2S/c1-3-10(12-14-7-8-15-12)9-4-2-6-13-11(9)5-1/h1,3,5,7-8,13H,2,4,6H2
InChIKeyJKCBZPVIBCTVNF-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.17
Rot. Bonds1

About 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-thiazole

2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-thiazole (PubChem CID 135387685) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-thiazole
PubChem CID135387685
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-thiazole
SMILESc1cc2c(c(-c3nccs3)c1)CCCN2
InChIInChI=1S/C12H12N2S/c1-3-10(12-14-7-8-15-12)9-4-2-6-13-11(9)5-1/h1,3,5,7-8,13H,2,4,6H2
InChIKeyJKCBZPVIBCTVNF-UHFFFAOYSA-N
XLogP3.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-thiazole?
The IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-thiazole (CID 135387685) is 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-thiazole?
The canonical SMILES for 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-thiazole is c1cc2c(c(-c3nccs3)c1)CCCN2.
What is the InChIKey of 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-thiazole?
The InChIKey is JKCBZPVIBCTVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-3-10(12-14-7-8-15-12)9-4-2-6-13-11(9)5-1/h1,3,5,7-8,13H,2,4,6H2.
What are the key properties of 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-thiazole?
2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-thiazole has a molecular weight of 216.31 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-thiazole is sourced from PubChem (CID 135387685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).