N-(1-ethoxypropan-2-yl)-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine

C22H21F3N4OS — CID 58523979

IUPACN-(1-ethoxypropan-2-yl)-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine
SMILESCCOCC(C)Nc1ncc(-c2cc(-c3ccc(C(F)(F)F)cc3)c3nccn3c2)s1
InChIInChI=1S/C22H21F3N4OS/c1-3-30-13-14(2)28-21-27-11-19(31-21)16-10-18(20-26-8-9-29(20)12-16)15-4-6-17(7-5-15)22(23,24)25/h4-12,14H,3,13H2,1-2H3,(H,27,28)
InChIKeyRMKMKBJJJMUBGG-UHFFFAOYSA-N
MW446.50 g/mol
LogP5.98
Rot. Bonds7

About N-(1-ethoxypropan-2-yl)-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine

N-(1-ethoxypropan-2-yl)-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine (PubChem CID 58523979) has the molecular formula C22H21F3N4OS and a molecular weight of 446.50 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine
PubChem CID58523979
Molecular FormulaC22H21F3N4OS
Molecular Weight446.50 g/mol
Exact Mass446.14
IUPAC NameN-(1-ethoxypropan-2-yl)-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine
SMILESCCOCC(C)Nc1ncc(-c2cc(-c3ccc(C(F)(F)F)cc3)c3nccn3c2)s1
InChIInChI=1S/C22H21F3N4OS/c1-3-30-13-14(2)28-21-27-11-19(31-21)16-10-18(20-26-8-9-29(20)12-16)15-4-6-17(7-5-15)22(23,24)25/h4-12,14H,3,13H2,1-2H3,(H,27,28)
InChIKeyRMKMKBJJJMUBGG-UHFFFAOYSA-N
XLogP5.98
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-ethoxypropan-2-yl)-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine (CID 58523979) is N-(1-ethoxypropan-2-yl)-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine is CCOCC(C)Nc1ncc(-c2cc(-c3ccc(C(F)(F)F)cc3)c3nccn3c2)s1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine?
The InChIKey is RMKMKBJJJMUBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4OS/c1-3-30-13-14(2)28-21-27-11-19(31-21)16-10-18(20-26-8-9-29(20)12-16)15-4-6-17(7-5-15)22(23,24)25/h4-12,14H,3,13H2,1-2H3,(H,27,28).
What are the key properties of N-(1-ethoxypropan-2-yl)-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine?
N-(1-ethoxypropan-2-yl)-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine has a molecular weight of 446.50 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58523979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).