3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol

C13H16N2OS — CID 63261586

IUPAC3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol
SMILESOCC(Cc1ccccc1)NCc1cscn1
InChIInChI=1S/C13H16N2OS/c16-8-12(6-11-4-2-1-3-5-11)14-7-13-9-17-10-15-13/h1-5,9-10,12,14,16H,6-8H2
InChIKeyVBUAPKURQWJMEE-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.84
Rot. Bonds6

About 3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol

3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol (PubChem CID 63261586) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol
PubChem CID63261586
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol
SMILESOCC(Cc1ccccc1)NCc1cscn1
InChIInChI=1S/C13H16N2OS/c16-8-12(6-11-4-2-1-3-5-11)14-7-13-9-17-10-15-13/h1-5,9-10,12,14,16H,6-8H2
InChIKeyVBUAPKURQWJMEE-UHFFFAOYSA-N
XLogP1.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
CID 63260593
(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095
(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 6612703
2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 63260434
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol
CID 63261332
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 63260764
2-(1,3-benzothiazol-2-ylmethylamino)-3-phenylpropan-1-ol
CID 63261117
(2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 107860714
(2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 104922812
4-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]benzene-1,2,3-triol
CID 107860798

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol?
The IUPAC name of 3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol (CID 63261586) is 3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol.
What is the SMILES notation for 3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol?
The canonical SMILES for 3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol is OCC(Cc1ccccc1)NCc1cscn1.
What is the InChIKey of 3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol?
The InChIKey is VBUAPKURQWJMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c16-8-12(6-11-4-2-1-3-5-11)14-7-13-9-17-10-15-13/h1-5,9-10,12,14,16H,6-8H2.
What are the key properties of 3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol?
3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol has a molecular weight of 248.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol is sourced from PubChem (CID 63261586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).