(2R)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-phenylpropan-1-ol

C16H22N2OS — CID 104926167

IUPAC(2R)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-phenylpropan-1-ol
SMILESCc1nc(C(C)N[C@@H](CO)Cc2ccccc2)c(C)s1
InChIInChI=1S/C16H22N2OS/c1-11(16-12(2)20-13(3)18-16)17-15(10-19)9-14-7-5-4-6-8-14/h4-8,11,15,17,19H,9-10H2,1-3H3/t11?,15-/m1/s1
InChIKeyAACUNVDYUUBLLU-JOPIAHFSSA-N
MW290.43 g/mol
LogP3.01
Rot. Bonds6

About (2R)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-phenylpropan-1-ol

(2R)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-phenylpropan-1-ol (PubChem CID 104926167) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (2R)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-phenylpropan-1-ol
PubChem CID104926167
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(2R)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-phenylpropan-1-ol
SMILESCc1nc(C(C)N[C@@H](CO)Cc2ccccc2)c(C)s1
InChIInChI=1S/C16H22N2OS/c1-11(16-12(2)20-13(3)18-16)17-15(10-19)9-14-7-5-4-6-8-14/h4-8,11,15,17,19H,9-10H2,1-3H3/t11?,15-/m1/s1
InChIKeyAACUNVDYUUBLLU-JOPIAHFSSA-N
XLogP3.01
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
(2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol
CID 104926141
3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 113261620
(2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 102613868
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260594
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine
CID 43204647
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 43535437
3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol
CID 107860727
2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol
CID 83119110
2-(pentan-2-ylamino)-3-phenylpropan-1-ol
CID 63260839
2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile
CID 63261459

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-phenylpropan-1-ol (CID 104926167) is (2R)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-phenylpropan-1-ol is Cc1nc(C(C)N[C@@H](CO)Cc2ccccc2)c(C)s1.
What is the InChIKey of (2R)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-phenylpropan-1-ol?
The InChIKey is AACUNVDYUUBLLU-JOPIAHFSSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11(16-12(2)20-13(3)18-16)17-15(10-19)9-14-7-5-4-6-8-14/h4-8,11,15,17,19H,9-10H2,1-3H3/t11?,15-/m1/s1.
What are the key properties of (2R)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-phenylpropan-1-ol?
(2R)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-phenylpropan-1-ol has a molecular weight of 290.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 104926167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).