5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol

C13H16N2O2S — CID 107706626

IUPAC5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
SMILESCC(NC(C)c1nccs1)c1cc(O)cc(O)c1
InChIInChI=1S/C13H16N2O2S/c1-8(10-5-11(16)7-12(17)6-10)15-9(2)13-14-3-4-18-13/h3-9,15-17H,1-2H3
InChIKeyVSVJZUKNNRNNOW-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.97
Rot. Bonds4

About 5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol

5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol (PubChem CID 107706626) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
PubChem CID107706626
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
SMILESCC(NC(C)c1nccs1)c1cc(O)cc(O)c1
InChIInChI=1S/C13H16N2O2S/c1-8(10-5-11(16)7-12(17)6-10)15-9(2)13-14-3-4-18-13/h3-9,15-17H,1-2H3
InChIKeyVSVJZUKNNRNNOW-UHFFFAOYSA-N
XLogP2.97
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(3,4-dichlorophenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 96563349
5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol
CID 107706770
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
(1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 81364053
5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol
CID 107706299
(1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 81366500
(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 95366812
(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 114987181
5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol
CID 107706948
3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 79254662
5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107707104
(2R)-2-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824361

Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol (CID 107706626) is 5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol is CC(NC(C)c1nccs1)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol?
The InChIKey is VSVJZUKNNRNNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-8(10-5-11(16)7-12(17)6-10)15-9(2)13-14-3-4-18-13/h3-9,15-17H,1-2H3.
What are the key properties of 5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol?
5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol has a molecular weight of 264.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107706626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).