(2S)-1-phenyl-3-[[5-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine

C22H20N4OS — CID 23646950

IUPAC(2S)-1-phenyl-3-[[5-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(-c2nc(-c3cccnc3)cs2)c1)Cc1ccccc1
InChIInChI=1S/C22H20N4OS/c23-19(9-16-5-2-1-3-6-16)14-27-20-10-18(12-25-13-20)22-26-21(15-28-22)17-7-4-8-24-11-17/h1-8,10-13,15,19H,9,14,23H2/t19-/m0/s1
InChIKeyGEHWXRIGTGFLEJ-IBGZPJMESA-N
MW388.50 g/mol
LogP4.22
Rot. Bonds7

About (2S)-1-phenyl-3-[[5-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine

(2S)-1-phenyl-3-[[5-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 23646950) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is (2S)-1-phenyl-3-[[5-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-phenyl-3-[[5-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID23646950
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name(2S)-1-phenyl-3-[[5-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(-c2nc(-c3cccnc3)cs2)c1)Cc1ccccc1
InChIInChI=1S/C22H20N4OS/c23-19(9-16-5-2-1-3-6-16)14-27-20-10-18(12-25-13-20)22-26-21(15-28-22)17-7-4-8-24-11-17/h1-8,10-13,15,19H,9,14,23H2/t19-/m0/s1
InChIKeyGEHWXRIGTGFLEJ-IBGZPJMESA-N
XLogP4.22
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenyl-3-[[5-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-phenyl-3-[[5-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine (CID 23646950) is (2S)-1-phenyl-3-[[5-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-phenyl-3-[[5-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-phenyl-3-[[5-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine is N[C@H](COc1cncc(-c2nc(-c3cccnc3)cs2)c1)Cc1ccccc1.
What is the InChIKey of (2S)-1-phenyl-3-[[5-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is GEHWXRIGTGFLEJ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H20N4OS/c23-19(9-16-5-2-1-3-6-16)14-27-20-10-18(12-25-13-20)22-26-21(15-28-22)17-7-4-8-24-11-17/h1-8,10-13,15,19H,9,14,23H2/t19-/m0/s1.
What are the key properties of (2S)-1-phenyl-3-[[5-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-phenyl-3-[[5-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 388.50 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenyl-3-[[5-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 23646950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).