(2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol

C19H21N3OS — CID 97021393

IUPAC(2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol
SMILESC[C@H](c1ccccc1)[C@@H](CO)NCc1cnc(-c2ccccn2)s1
InChIInChI=1S/C19H21N3OS/c1-14(15-7-3-2-4-8-15)18(13-23)21-11-16-12-22-19(24-16)17-9-5-6-10-20-17/h2-10,12,14,18,21,23H,11,13H2,1H3/t14-,18-/m1/s1
InChIKeyFQJGSRDHDLHALR-RDTXWAMCSA-N
MW339.46 g/mol
LogP3.46
Rot. Bonds7

About (2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol

(2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol (PubChem CID 97021393) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is (2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol
PubChem CID97021393
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name(2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol
SMILESC[C@H](c1ccccc1)[C@@H](CO)NCc1cnc(-c2ccccn2)s1
InChIInChI=1S/C19H21N3OS/c1-14(15-7-3-2-4-8-15)18(13-23)21-11-16-12-22-19(24-16)17-9-5-6-10-20-17/h2-10,12,14,18,21,23H,11,13H2,1H3/t14-,18-/m1/s1
InChIKeyFQJGSRDHDLHALR-RDTXWAMCSA-N
XLogP3.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol with MolForge

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Related Compounds

2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 55070550
1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one
CID 115091334
2-[2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethoxy]ethanol
CID 111974588
1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol
CID 111974591
N-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63986645
(2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
CID 111382371
N-[[2-(5-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 81313265
N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 61281155
N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82425407
(1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 78950455
(1S)-1-cyclobutyl-1-phenyl-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine
CID 97055475
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol
CID 79254041

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
The IUPAC name of (2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol (CID 97021393) is (2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
The canonical SMILES for (2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol is C[C@H](c1ccccc1)[C@@H](CO)NCc1cnc(-c2ccccn2)s1.
What is the InChIKey of (2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
The InChIKey is FQJGSRDHDLHALR-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-14(15-7-3-2-4-8-15)18(13-23)21-11-16-12-22-19(24-16)17-9-5-6-10-20-17/h2-10,12,14,18,21,23H,11,13H2,1H3/t14-,18-/m1/s1.
What are the key properties of (2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
(2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol has a molecular weight of 339.46 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol is sourced from PubChem (CID 97021393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).