2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol

C17H16N2OS — CID 133371204

IUPAC2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
SMILESOCC(Nc1nc(-c2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C17H16N2OS/c20-11-15(13-7-3-1-4-8-13)18-17-19-16(12-21-17)14-9-5-2-6-10-14/h1-10,12,15,20H,11H2,(H,18,19)
InChIKeyQUPWPGLGDVTFIO-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.96
Rot. Bonds5

About 2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol

2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol (PubChem CID 133371204) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
PubChem CID133371204
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
SMILESOCC(Nc1nc(-c2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C17H16N2OS/c20-11-15(13-7-3-1-4-8-13)18-17-19-16(12-21-17)14-9-5-2-6-10-14/h1-10,12,15,20H,11H2,(H,18,19)
InChIKeyQUPWPGLGDVTFIO-UHFFFAOYSA-N
XLogP3.96
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-phenylethyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2464196
2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 43627750
2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 15573942
[[(4-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid
CID 19992029
2-phenyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65274322
2-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-ol
CID 141197141
(3R)-5-oxo-3-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 2039739
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 2560713
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol
CID 64982613
(2S)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]propan-1-ol
CID 86618575
N-[3-methyl-1-(1-methylindol-3-yl)butyl]-4-phenyl-1,3-thiazol-2-amine
CID 155808199

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol?
The IUPAC name of 2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol (CID 133371204) is 2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol.
What is the SMILES notation for 2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol?
The canonical SMILES for 2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol is OCC(Nc1nc(-c2ccccc2)cs1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol?
The InChIKey is QUPWPGLGDVTFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-11-15(13-7-3-1-4-8-13)18-17-19-16(12-21-17)14-9-5-2-6-10-14/h1-10,12,15,20H,11H2,(H,18,19).
What are the key properties of 2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol?
2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol has a molecular weight of 296.40 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol is sourced from PubChem (CID 133371204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).