N,6-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-amine

C12H12F3N3S — CID 133483771

IUPACN,6-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-amine
SMILESCc1cccc(N(C)Cc2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C12H12F3N3S/c1-8-4-3-5-10(16-8)18(2)6-11-17-9(7-19-11)12(13,14)15/h3-5,7H,6H2,1-2H3
InChIKeyMUGWURUZDSVEJU-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.50
Rot. Bonds3

About N,6-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-amine

N,6-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-amine (PubChem CID 133483771) has the molecular formula C12H12F3N3S and a molecular weight of 287.31 g/mol. Its IUPAC name is N,6-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-amine
PubChem CID133483771
Molecular FormulaC12H12F3N3S
Molecular Weight287.31 g/mol
Exact Mass287.07
IUPAC NameN,6-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-amine
SMILESCc1cccc(N(C)Cc2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C12H12F3N3S/c1-8-4-3-5-10(16-8)18(2)6-11-17-9(7-19-11)12(13,14)15/h3-5,7H,6H2,1-2H3
InChIKeyMUGWURUZDSVEJU-UHFFFAOYSA-N
XLogP3.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-2-amine
CID 133403744
6-ethoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-amine
CID 133485067
N-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
CID 71984699
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 71984704
N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide
CID 71983792
N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine
CID 133313300
2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 67357137
2-(chloromethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 62921994
ethane;2-methyl-6-(trifluoromethyl)pyridine
CID 144746626
2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride
CID 84588637
2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 122144134
6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine
CID 133483685

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-amine?
The IUPAC name of N,6-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-amine (CID 133483771) is N,6-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N,6-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-amine?
The canonical SMILES for N,6-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-amine is Cc1cccc(N(C)Cc2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of N,6-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-amine?
The InChIKey is MUGWURUZDSVEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3S/c1-8-4-3-5-10(16-8)18(2)6-11-17-9(7-19-11)12(13,14)15/h3-5,7H,6H2,1-2H3.
What are the key properties of N,6-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-amine?
N,6-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-amine has a molecular weight of 287.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 133483771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).