4-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

C17H19F4N3S — CID 129016292

IUPAC4-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cc(F)cc(C(F)(F)F)c2)c(CN2CCCC2C)s1
InChIInChI=1S/C17H19F4N3S/c1-10-4-3-5-24(10)9-14-15(23-16(22-2)25-14)11-6-12(17(19,20)21)8-13(18)7-11/h6-8,10H,3-5,9H2,1-2H3,(H,22,23)
InChIKeyZOFRJJVDGUJLLN-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.99
Rot. Bonds4

About 4-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

4-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 129016292) has the molecular formula C17H19F4N3S and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID129016292
Molecular FormulaC17H19F4N3S
Molecular Weight373.42 g/mol
Exact Mass373.12
IUPAC Name4-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cc(F)cc(C(F)(F)F)c2)c(CN2CCCC2C)s1
InChIInChI=1S/C17H19F4N3S/c1-10-4-3-5-24(10)9-14-15(23-16(22-2)25-14)11-6-12(17(19,20)21)8-13(18)7-11/h6-8,10H,3-5,9H2,1-2H3,(H,22,23)
InChIKeyZOFRJJVDGUJLLN-UHFFFAOYSA-N
XLogP4.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (CID 129016292) is 4-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is CNc1nc(-c2cc(F)cc(C(F)(F)F)c2)c(CN2CCCC2C)s1.
What is the InChIKey of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is ZOFRJJVDGUJLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4N3S/c1-10-4-3-5-24(10)9-14-15(23-16(22-2)25-14)11-6-12(17(19,20)21)8-13(18)7-11/h6-8,10H,3-5,9H2,1-2H3,(H,22,23).
What are the key properties of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
4-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 373.42 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 129016292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).