(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol

C8H14N2OS — CID 114987181

IUPAC(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
SMILESCC(N[C@H](C)CO)c1nccs1
InChIInChI=1S/C8H14N2OS/c1-6(5-11)10-7(2)8-9-3-4-12-8/h3-4,6-7,10-11H,5H2,1-2H3/t6-,7?/m1/s1
InChIKeyRXVKDJFTXMIBDI-ULUSZKPHSA-N
MW186.28 g/mol
LogP1.17
Rot. Bonds4

About (2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol

(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol (PubChem CID 114987181) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is (2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
PubChem CID114987181
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
SMILESCC(N[C@H](C)CO)c1nccs1
InChIInChI=1S/C8H14N2OS/c1-6(5-11)10-7(2)8-9-3-4-12-8/h3-4,6-7,10-11H,5H2,1-2H3/t6-,7?/m1/s1
InChIKeyRXVKDJFTXMIBDI-ULUSZKPHSA-N
XLogP1.17
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824361
(2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824359
3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 79254662
(4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol
CID 97051663
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 95366812
3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol
CID 66174830
1-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 115901761
N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 64990673
1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115891943
2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463
tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]carbamate
CID 103390074

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol?
The IUPAC name of (2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol (CID 114987181) is (2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol is CC(N[C@H](C)CO)c1nccs1.
What is the InChIKey of (2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol?
The InChIKey is RXVKDJFTXMIBDI-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-6(5-11)10-7(2)8-9-3-4-12-8/h3-4,6-7,10-11H,5H2,1-2H3/t6-,7?/m1/s1.
What are the key properties of (2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol?
(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol has a molecular weight of 186.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 114987181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).