2-[8-(difluoromethoxy)-4,6-dimethylquinolin-2-yl]-4-propan-2-yl-1,3-thiazole

C18H18F2N2OS — CID 70249473

IUPAC2-[8-(difluoromethoxy)-4,6-dimethylquinolin-2-yl]-4-propan-2-yl-1,3-thiazole
SMILESCc1cc(OC(F)F)c2nc(-c3nc(C(C)C)cs3)cc(C)c2c1
InChIInChI=1S/C18H18F2N2OS/c1-9(2)14-8-24-17(22-14)13-7-11(4)12-5-10(3)6-15(16(12)21-13)23-18(19)20/h5-9,18H,1-4H3
InChIKeyIHCPWFAFRDIROD-UHFFFAOYSA-N
MW348.42 g/mol
LogP5.70
Rot. Bonds4

About 2-[8-(difluoromethoxy)-4,6-dimethylquinolin-2-yl]-4-propan-2-yl-1,3-thiazole

2-[8-(difluoromethoxy)-4,6-dimethylquinolin-2-yl]-4-propan-2-yl-1,3-thiazole (PubChem CID 70249473) has the molecular formula C18H18F2N2OS and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[8-(difluoromethoxy)-4,6-dimethylquinolin-2-yl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[8-(difluoromethoxy)-4,6-dimethylquinolin-2-yl]-4-propan-2-yl-1,3-thiazole
PubChem CID70249473
Molecular FormulaC18H18F2N2OS
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[8-(difluoromethoxy)-4,6-dimethylquinolin-2-yl]-4-propan-2-yl-1,3-thiazole
SMILESCc1cc(OC(F)F)c2nc(-c3nc(C(C)C)cs3)cc(C)c2c1
InChIInChI=1S/C18H18F2N2OS/c1-9(2)14-8-24-17(22-14)13-7-11(4)12-5-10(3)6-15(16(12)21-13)23-18(19)20/h5-9,18H,1-4H3
InChIKeyIHCPWFAFRDIROD-UHFFFAOYSA-N
XLogP5.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.42
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(difluoromethoxy)-4,6-dimethylquinolin-2-yl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[8-(difluoromethoxy)-4,6-dimethylquinolin-2-yl]-4-propan-2-yl-1,3-thiazole (CID 70249473) is 2-[8-(difluoromethoxy)-4,6-dimethylquinolin-2-yl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[8-(difluoromethoxy)-4,6-dimethylquinolin-2-yl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[8-(difluoromethoxy)-4,6-dimethylquinolin-2-yl]-4-propan-2-yl-1,3-thiazole is Cc1cc(OC(F)F)c2nc(-c3nc(C(C)C)cs3)cc(C)c2c1.
What is the InChIKey of 2-[8-(difluoromethoxy)-4,6-dimethylquinolin-2-yl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is IHCPWFAFRDIROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2OS/c1-9(2)14-8-24-17(22-14)13-7-11(4)12-5-10(3)6-15(16(12)21-13)23-18(19)20/h5-9,18H,1-4H3.
What are the key properties of 2-[8-(difluoromethoxy)-4,6-dimethylquinolin-2-yl]-4-propan-2-yl-1,3-thiazole?
2-[8-(difluoromethoxy)-4,6-dimethylquinolin-2-yl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 348.42 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(difluoromethoxy)-4,6-dimethylquinolin-2-yl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 70249473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).