2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol

C13H16N2OS — CID 63241920

IUPAC2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol
SMILESCC(NCCc1nccs1)c1ccccc1O
InChIInChI=1S/C13H16N2OS/c1-10(11-4-2-3-5-12(11)16)14-7-6-13-15-8-9-17-13/h2-5,8-10,14,16H,6-7H2,1H3
InChIKeyZXDTYNRXTALGAO-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.74
Rot. Bonds5

About 2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol

2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol (PubChem CID 63241920) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol
PubChem CID63241920
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol
SMILESCC(NCCc1nccs1)c1ccccc1O
InChIInChI=1S/C13H16N2OS/c1-10(11-4-2-3-5-12(11)16)14-7-6-13-15-8-9-17-13/h2-5,8-10,14,16H,6-7H2,1H3
InChIKeyZXDTYNRXTALGAO-UHFFFAOYSA-N
XLogP2.74
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-phenylethylamino)ethyl]phenol
CID 43194097
1-(2,4-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 55174442
1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242464
4-[2-(1,3-thiazol-2-yl)ethylamino]pentan-1-ol
CID 115971769
1-(1-benzothiophen-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 114909896
(1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81377691
1-(4-methylsulfanylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63241921
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81397203
2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
CID 114183507
4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol
CID 63242196
1-(4-propan-2-yloxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242424
N-[phenyl(pyridin-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 63242524

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol?
The IUPAC name of 2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol (CID 63241920) is 2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol.
What is the SMILES notation for 2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol?
The canonical SMILES for 2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol is CC(NCCc1nccs1)c1ccccc1O.
What is the InChIKey of 2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol?
The InChIKey is ZXDTYNRXTALGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10(11-4-2-3-5-12(11)16)14-7-6-13-15-8-9-17-13/h2-5,8-10,14,16H,6-7H2,1H3.
What are the key properties of 2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol?
2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol has a molecular weight of 248.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol is sourced from PubChem (CID 63241920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).