N-[8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]methanesulfonamide

C15H12F3N3O2S2 — CID 90763943

IUPACN-[8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]methanesulfonamide
SMILESCc1c(NS(C)(=O)=O)ccc2ccc(-c3nc(C(F)(F)F)cs3)nc12
InChIInChI=1S/C15H12F3N3O2S2/c1-8-10(21-25(2,22)23)5-3-9-4-6-11(19-13(8)9)14-20-12(7-24-14)15(16,17)18/h3-7,21H,1-2H3
InChIKeyREQVWHZLVJWMAO-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.06
Rot. Bonds3

About N-[8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]methanesulfonamide

N-[8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]methanesulfonamide (PubChem CID 90763943) has the molecular formula C15H12F3N3O2S2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]methanesulfonamide
PubChem CID90763943
Molecular FormulaC15H12F3N3O2S2
Molecular Weight387.41 g/mol
Exact Mass387.03
IUPAC NameN-[8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]methanesulfonamide
SMILESCc1c(NS(C)(=O)=O)ccc2ccc(-c3nc(C(F)(F)F)cs3)nc12
InChIInChI=1S/C15H12F3N3O2S2/c1-8-10(21-25(2,22)23)5-3-9-4-6-11(19-13(8)9)14-20-12(7-24-14)15(16,17)18/h3-7,21H,1-2H3
InChIKeyREQVWHZLVJWMAO-UHFFFAOYSA-N
XLogP4.06
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]methanesulfonamide?
The IUPAC name of N-[8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]methanesulfonamide (CID 90763943) is N-[8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]methanesulfonamide.
What is the SMILES notation for N-[8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]methanesulfonamide?
The canonical SMILES for N-[8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]methanesulfonamide is Cc1c(NS(C)(=O)=O)ccc2ccc(-c3nc(C(F)(F)F)cs3)nc12.
What is the InChIKey of N-[8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]methanesulfonamide?
The InChIKey is REQVWHZLVJWMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S2/c1-8-10(21-25(2,22)23)5-3-9-4-6-11(19-13(8)9)14-20-12(7-24-14)15(16,17)18/h3-7,21H,1-2H3.
What are the key properties of N-[8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]methanesulfonamide?
N-[8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]methanesulfonamide has a molecular weight of 387.41 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]methanesulfonamide is sourced from PubChem (CID 90763943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).