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

C15H20N2O2S — CID 107707104

IUPAC5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
SMILESCCc1cnc(C(C)NC(C)c2cc(O)cc(O)c2)s1
InChIInChI=1S/C15H20N2O2S/c1-4-14-8-16-15(20-14)10(3)17-9(2)11-5-12(18)7-13(19)6-11/h5-10,17-19H,4H2,1-3H3
InChIKeyJMCCRPHPIQZTES-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.53
Rot. Bonds5

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

5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol (PubChem CID 107707104) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
PubChem CID107707104
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
SMILESCCc1cnc(C(C)NC(C)c2cc(O)cc(O)c2)s1
InChIInChI=1S/C15H20N2O2S/c1-4-14-8-16-15(20-14)10(3)17-9(2)11-5-12(18)7-13(19)6-11/h5-10,17-19H,4H2,1-3H3
InChIKeyJMCCRPHPIQZTES-UHFFFAOYSA-N
XLogP3.53
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 99637053
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 112700496
1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 115726807
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine
CID 115726821
4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol
CID 115972512
1-(5-bromothiophen-2-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 112700486
ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate
CID 115679802
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 112700001
1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 115679837
5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107706626
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 112551903
1-(1-benzothiophen-2-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 114910046

Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol (CID 107707104) is 5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol is CCc1cnc(C(C)NC(C)c2cc(O)cc(O)c2)s1.
What is the InChIKey of 5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol?
The InChIKey is JMCCRPHPIQZTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-4-14-8-16-15(20-14)10(3)17-9(2)11-5-12(18)7-13(19)6-11/h5-10,17-19H,4H2,1-3H3.
What are the key properties of 5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol?
5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol has a molecular weight of 292.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107707104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).