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

C16H18F2N2S — CID 121385831

IUPAC5-[7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinolin-6-yl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2cc3c(cc2C(F)F)N(C)CCC3)s1
InChIInChI=1S/C16H18F2N2S/c1-9-15(21-10(2)19-9)12-7-11-5-4-6-20(3)14(11)8-13(12)16(17)18/h7-8,16H,4-6H2,1-3H3
InChIKeyKFVPUFFWZHPGKR-UHFFFAOYSA-N
MW308.40 g/mol
LogP4.75
Rot. Bonds2

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

5-[7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinolin-6-yl]-2,4-dimethyl-1,3-thiazole (PubChem CID 121385831) has the molecular formula C16H18F2N2S and a molecular weight of 308.40 g/mol. Its IUPAC name is 5-[7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinolin-6-yl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinolin-6-yl]-2,4-dimethyl-1,3-thiazole
PubChem CID121385831
Molecular FormulaC16H18F2N2S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name5-[7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinolin-6-yl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2cc3c(cc2C(F)F)N(C)CCC3)s1
InChIInChI=1S/C16H18F2N2S/c1-9-15(21-10(2)19-9)12-7-11-5-4-6-20(3)14(11)8-13(12)16(17)18/h7-8,16H,4-6H2,1-3H3
InChIKeyKFVPUFFWZHPGKR-UHFFFAOYSA-N
XLogP4.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.75
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-methyl-3,4-dihydro-2H-quinolin-6-yl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinolin-6-yl]-2,4-dimethyl-1,3-thiazole (CID 121385831) is 5-[7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinolin-6-yl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinolin-6-yl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinolin-6-yl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(-c2cc3c(cc2C(F)F)N(C)CCC3)s1.
What is the InChIKey of 5-[7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinolin-6-yl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is KFVPUFFWZHPGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2S/c1-9-15(21-10(2)19-9)12-7-11-5-4-6-20(3)14(11)8-13(12)16(17)18/h7-8,16H,4-6H2,1-3H3.
What are the key properties of 5-[7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinolin-6-yl]-2,4-dimethyl-1,3-thiazole?
5-[7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinolin-6-yl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 308.40 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinolin-6-yl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 121385831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).