4-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C19H19F3N4OS — CID 156506526

IUPAC4-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCN(C)CCOc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1
InChIInChI=1S/C19H19F3N4OS/c1-26(2)8-9-27-17-10-13(6-7-23-17)16-12-28-18(25-16)24-15-5-3-4-14(11-15)19(20,21)22/h3-7,10-12H,8-9H2,1-2H3,(H,24,25)
InChIKeyGRCDBADDJRDNSR-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.91
Rot. Bonds7

About 4-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

4-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 156506526) has the molecular formula C19H19F3N4OS and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID156506526
Molecular FormulaC19H19F3N4OS
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Name4-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCN(C)CCOc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1
InChIInChI=1S/C19H19F3N4OS/c1-26(2)8-9-27-17-10-13(6-7-23-17)16-12-28-18(25-16)24-15-5-3-4-14(11-15)19(20,21)22/h3-7,10-12H,8-9H2,1-2H3,(H,24,25)
InChIKeyGRCDBADDJRDNSR-UHFFFAOYSA-N
XLogP4.91
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 156506526) is 4-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is CN(C)CCOc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1.
What is the InChIKey of 4-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is GRCDBADDJRDNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4OS/c1-26(2)8-9-27-17-10-13(6-7-23-17)16-12-28-18(25-16)24-15-5-3-4-14(11-15)19(20,21)22/h3-7,10-12H,8-9H2,1-2H3,(H,24,25).
What are the key properties of 4-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 408.45 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 156506526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).