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

C22H20N4OS — CID 23646949

IUPAC(2S)-1-phenyl-3-[[5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(-c2nc(-c3ccncc3)cs2)c1)Cc1ccccc1
InChIInChI=1S/C22H20N4OS/c23-19(10-16-4-2-1-3-5-16)14-27-20-11-18(12-25-13-20)22-26-21(15-28-22)17-6-8-24-9-7-17/h1-9,11-13,15,19H,10,14,23H2/t19-/m0/s1
InChIKeyMVLCNJKHGFMZMG-IBGZPJMESA-N
MW388.50 g/mol
LogP4.22
Rot. Bonds7

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

(2S)-1-phenyl-3-[[5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 23646949) 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-4-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-phenyl-3-[[5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID23646949
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name(2S)-1-phenyl-3-[[5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(-c2nc(-c3ccncc3)cs2)c1)Cc1ccccc1
InChIInChI=1S/C22H20N4OS/c23-19(10-16-4-2-1-3-5-16)14-27-20-11-18(12-25-13-20)22-26-21(15-28-22)17-6-8-24-9-7-17/h1-9,11-13,15,19H,10,14,23H2/t19-/m0/s1
InChIKeyMVLCNJKHGFMZMG-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

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

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Launch Full Analysis

Related Compounds

3-[(2S)-2-amino-3-[(5-{thieno[2,3-c]pyridin-2-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 10216158
3-[(2S)-2-amino-3-(1-benzothiophen-3-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287346
3-(Benzyloxy)-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 16660015
3-[(2S)-2-amino-3-({5-[(E)-2-[2-(benzylsulfanyl)pyridin-4-yl]ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 23646990
3-(Benzyloxy)-5-Methyl-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 59225669
2-(2-Methoxy-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole
CID 57384103
Pyridin-3-yl 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 127047752
4-[4-(3-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 7680155
4-[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057056
(R)-2-(2-(4-(2-ethylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 9947512
(R)-1-(pyridin-3-yl)-2-(2-(4-(2-(pyridin-4-yl)thiazol-4-yl)phenoxy)ethylamino)ethanol
CID 10112744
(R)-2-(2-(4-(2-methylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10132882

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenyl-3-[[5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-phenyl-3-[[5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine (CID 23646949) is (2S)-1-phenyl-3-[[5-(4-pyridin-4-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-4-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-phenyl-3-[[5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine is N[C@H](COc1cncc(-c2nc(-c3ccncc3)cs2)c1)Cc1ccccc1.
What is the InChIKey of (2S)-1-phenyl-3-[[5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is MVLCNJKHGFMZMG-IBGZPJMESA-N. The full InChI is InChI=1S/C22H20N4OS/c23-19(10-16-4-2-1-3-5-16)14-27-20-11-18(12-25-13-20)22-26-21(15-28-22)17-6-8-24-9-7-17/h1-9,11-13,15,19H,10,14,23H2/t19-/m0/s1.
What are the key properties of (2S)-1-phenyl-3-[[5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-phenyl-3-[[5-(4-pyridin-4-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-4-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 23646949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).