2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole

C13H14N2S — CID 20983466

IUPAC2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole
SMILESCc1nc(-c2ccc3c(c2)CCCN3)cs1
InChIInChI=1S/C13H14N2S/c1-9-15-13(8-16-9)11-4-5-12-10(7-11)3-2-6-14-12/h4-5,7-8,14H,2-3,6H2,1H3
InChIKeyNXWRJLWVUKLXCW-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.48
Rot. Bonds1

About 2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole

2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole (PubChem CID 20983466) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole
PubChem CID20983466
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole
SMILESCc1nc(-c2ccc3c(c2)CCCN3)cs1
InChIInChI=1S/C13H14N2S/c1-9-15-13(8-16-9)11-4-5-12-10(7-11)3-2-6-14-12/h4-5,7-8,14H,2-3,6H2,1H3
InChIKeyNXWRJLWVUKLXCW-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole (CID 20983466) is 2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole is Cc1nc(-c2ccc3c(c2)CCCN3)cs1.
What is the InChIKey of 2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole?
The InChIKey is NXWRJLWVUKLXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-9-15-13(8-16-9)11-4-5-12-10(7-11)3-2-6-14-12/h4-5,7-8,14H,2-3,6H2,1H3.
What are the key properties of 2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole?
2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole has a molecular weight of 230.34 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole is sourced from PubChem (CID 20983466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).