5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole

C17H20F2N2S — CID 121382808

IUPAC5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole
SMILESCc1ncc(-c2cc3c(cc2C(F)F)N(C(C)C)CCC3)s1
InChIInChI=1S/C17H20F2N2S/c1-10(2)21-6-4-5-12-7-13(16-9-20-11(3)22-16)14(17(18)19)8-15(12)21/h7-10,17H,4-6H2,1-3H3
InChIKeyFSYFDYHBZMLSII-UHFFFAOYSA-N
MW322.42 g/mol
LogP5.22
Rot. Bonds3

About 5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole

5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole (PubChem CID 121382808) has the molecular formula C17H20F2N2S and a molecular weight of 322.42 g/mol. Its IUPAC name is 5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole
PubChem CID121382808
Molecular FormulaC17H20F2N2S
Molecular Weight322.42 g/mol
Exact Mass322.13
IUPAC Name5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole
SMILESCc1ncc(-c2cc3c(cc2C(F)F)N(C(C)C)CCC3)s1
InChIInChI=1S/C17H20F2N2S/c1-10(2)21-6-4-5-12-7-13(16-9-20-11(3)22-16)14(17(18)19)8-15(12)21/h7-10,17H,4-6H2,1-3H3
InChIKeyFSYFDYHBZMLSII-UHFFFAOYSA-N
XLogP5.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.42
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole (CID 121382808) is 5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole is Cc1ncc(-c2cc3c(cc2C(F)F)N(C(C)C)CCC3)s1.
What is the InChIKey of 5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole?
The InChIKey is FSYFDYHBZMLSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2S/c1-10(2)21-6-4-5-12-7-13(16-9-20-11(3)22-16)14(17(18)19)8-15(12)21/h7-10,17H,4-6H2,1-3H3.
What are the key properties of 5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole?
5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole has a molecular weight of 322.42 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 121382808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).