N-[6-(3-aminoazetidin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C22H23FN6S — CID 90420822

IUPACN-[6-(3-aminoazetidin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(N3CC(N)C3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C22H23FN6S/c1-3-18-21(29-12-17(8-9-20(29)25-18)28-10-16(24)11-28)27(2)22-26-19(13-30-22)14-4-6-15(23)7-5-14/h4-9,12-13,16H,3,10-11,24H2,1-2H3
InChIKeyWBRJILYOPDYLIY-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.07
Rot. Bonds5

About N-[6-(3-aminoazetidin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-[6-(3-aminoazetidin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 90420822) has the molecular formula C22H23FN6S and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[6-(3-aminoazetidin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-(3-aminoazetidin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID90420822
Molecular FormulaC22H23FN6S
Molecular Weight422.53 g/mol
Exact Mass422.17
IUPAC NameN-[6-(3-aminoazetidin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(N3CC(N)C3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C22H23FN6S/c1-3-18-21(29-12-17(8-9-20(29)25-18)28-10-16(24)11-28)27(2)22-26-19(13-30-22)14-4-6-15(23)7-5-14/h4-9,12-13,16H,3,10-11,24H2,1-2H3
InChIKeyWBRJILYOPDYLIY-UHFFFAOYSA-N
XLogP4.07
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-aminoazetidin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-(3-aminoazetidin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 90420822) is N-[6-(3-aminoazetidin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-(3-aminoazetidin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-(3-aminoazetidin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(N3CC(N)C3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[6-(3-aminoazetidin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is WBRJILYOPDYLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6S/c1-3-18-21(29-12-17(8-9-20(29)25-18)28-10-16(24)11-28)27(2)22-26-19(13-30-22)14-4-6-15(23)7-5-14/h4-9,12-13,16H,3,10-11,24H2,1-2H3.
What are the key properties of N-[6-(3-aminoazetidin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-[6-(3-aminoazetidin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 422.53 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-aminoazetidin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 90420822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).