2-(4-tert-butyl-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole

C20H24N2OS — CID 68639308

IUPAC2-(4-tert-butyl-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2c(C(C)(C)C)cc(-c3nc(C(C)C)cs3)nc2c1
InChIInChI=1S/C20H24N2OS/c1-12(2)18-11-24-19(22-18)17-10-15(20(3,4)5)14-8-7-13(23-6)9-16(14)21-17/h7-12H,1-6H3
InChIKeyBSDCLQJUPZWVQS-UHFFFAOYSA-N
MW340.49 g/mol
LogP5.79
Rot. Bonds3

About 2-(4-tert-butyl-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole

2-(4-tert-butyl-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole (PubChem CID 68639308) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-(4-tert-butyl-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-tert-butyl-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
PubChem CID68639308
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-(4-tert-butyl-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2c(C(C)(C)C)cc(-c3nc(C(C)C)cs3)nc2c1
InChIInChI=1S/C20H24N2OS/c1-12(2)18-11-24-19(22-18)17-10-15(20(3,4)5)14-8-7-13(23-6)9-16(14)21-17/h7-12H,1-6H3
InChIKeyBSDCLQJUPZWVQS-UHFFFAOYSA-N
XLogP5.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.49
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-tert-butyl-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole (CID 68639308) is 2-(4-tert-butyl-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-tert-butyl-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-tert-butyl-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole is COc1ccc2c(C(C)(C)C)cc(-c3nc(C(C)C)cs3)nc2c1.
What is the InChIKey of 2-(4-tert-butyl-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The InChIKey is BSDCLQJUPZWVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-12(2)18-11-24-19(22-18)17-10-15(20(3,4)5)14-8-7-13(23-6)9-16(14)21-17/h7-12H,1-6H3.
What are the key properties of 2-(4-tert-butyl-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
2-(4-tert-butyl-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole has a molecular weight of 340.49 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 68639308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).