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

C21H21FN4OS — CID 58207912

IUPACN-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine
SMILESCCOCC(C)Nc1ncc(-c2cc(-c3ccccc3F)c3nccn3c2)s1
InChIInChI=1S/C21H21FN4OS/c1-3-27-13-14(2)25-21-24-11-19(28-21)15-10-17(16-6-4-5-7-18(16)22)20-23-8-9-26(20)12-15/h4-12,14H,3,13H2,1-2H3,(H,24,25)
InChIKeyFRSASCPDGHZNSD-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.10
Rot. Bonds7

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

N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine (PubChem CID 58207912) has the molecular formula C21H21FN4OS and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine
PubChem CID58207912
Molecular FormulaC21H21FN4OS
Molecular Weight396.49 g/mol
Exact Mass396.14
IUPAC NameN-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine
SMILESCCOCC(C)Nc1ncc(-c2cc(-c3ccccc3F)c3nccn3c2)s1
InChIInChI=1S/C21H21FN4OS/c1-3-27-13-14(2)25-21-24-11-19(28-21)15-10-17(16-6-4-5-7-18(16)22)20-23-8-9-26(20)12-15/h4-12,14H,3,13H2,1-2H3,(H,24,25)
InChIKeyFRSASCPDGHZNSD-UHFFFAOYSA-N
XLogP5.10
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine (CID 58207912) is N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)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-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine is CCOCC(C)Nc1ncc(-c2cc(-c3ccccc3F)c3nccn3c2)s1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine?
The InChIKey is FRSASCPDGHZNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4OS/c1-3-27-13-14(2)25-21-24-11-19(28-21)15-10-17(16-6-4-5-7-18(16)22)20-23-8-9-26(20)12-15/h4-12,14H,3,13H2,1-2H3,(H,24,25).
What are the key properties of N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine?
N-(1-ethoxypropan-2-yl)-5-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine has a molecular weight of 396.49 g/mol, XLogP of 5.10, 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-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58207912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).