(1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol

C18H18N2OS — CID 10543000

IUPAC(1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
SMILESO[C@H](c1nccs1)[C@@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2OS/c21-17(18-19-11-12-22-18)16(15-9-5-2-6-10-15)20-13-14-7-3-1-4-8-14/h1-12,16-17,20-21H,13H2/t16-,17-/m0/s1
InChIKeyVNFCQXCRCJEZKW-IRXDYDNUSA-N
MW310.42 g/mol
LogP3.71
Rot. Bonds6

About (1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol

(1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol (PubChem CID 10543000) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is (1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name(1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
PubChem CID10543000
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name(1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
SMILESO[C@H](c1nccs1)[C@@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2OS/c21-17(18-19-11-12-22-18)16(15-9-5-2-6-10-15)20-13-14-7-3-1-4-8-14/h1-12,16-17,20-21H,13H2/t16-,17-/m0/s1
InChIKeyVNFCQXCRCJEZKW-IRXDYDNUSA-N
XLogP3.71
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 70041725
(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 154527868
(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
(2R,3S)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol
CID 15364761
(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol
CID 10685271
(1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 112742116
3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
CID 21219515
ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate
CID 142101108
2-phenyl-2-(1,3-thiazol-2-yl)acetic acid
CID 115006319
(2R,3S)-3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
CID 18655941
(1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol
CID 174457838

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of (1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol (CID 10543000) is (1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for (1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for (1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol is O[C@H](c1nccs1)[C@@H](NCc1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol?
The InChIKey is VNFCQXCRCJEZKW-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H18N2OS/c21-17(18-19-11-12-22-18)16(15-9-5-2-6-10-15)20-13-14-7-3-1-4-8-14/h1-12,16-17,20-21H,13H2/t16-,17-/m0/s1.
What are the key properties of (1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol?
(1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol has a molecular weight of 310.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 10543000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).