4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol

C14H18N2OS — CID 63242196

IUPAC4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol
SMILESCCC(NCCc1nccs1)c1ccc(O)cc1
InChIInChI=1S/C14H18N2OS/c1-2-13(11-3-5-12(17)6-4-11)15-8-7-14-16-9-10-18-14/h3-6,9-10,13,15,17H,2,7-8H2,1H3
InChIKeyZQMBBIINZAOYDD-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.13
Rot. Bonds6

About 4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol

4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol (PubChem CID 63242196) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol
PubChem CID63242196
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol
SMILESCCC(NCCc1nccs1)c1ccc(O)cc1
InChIInChI=1S/C14H18N2OS/c1-2-13(11-3-5-12(17)6-4-11)15-8-7-14-16-9-10-18-14/h3-6,9-10,13,15,17H,2,7-8H2,1H3
InChIKeyZQMBBIINZAOYDD-UHFFFAOYSA-N
XLogP3.13
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242464
4-[1-(2-pyridin-3-ylethylamino)propyl]phenol
CID 60893733
1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61285407
2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol
CID 63241920
1-(4-methylsulfanylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63241921
1-(4-propan-2-yloxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242424
N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824684
4-[1-[2-(trifluoromethylsulfanyl)ethylamino]propyl]phenol
CID 106427128
2-[1-(4-hydroxyphenyl)propylamino]ethylurea
CID 83110517
N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline
CID 105169159
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242335
1-(3-chloro-4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242017

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol?
The IUPAC name of 4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol (CID 63242196) is 4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol.
What is the SMILES notation for 4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol?
The canonical SMILES for 4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol is CCC(NCCc1nccs1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol?
The InChIKey is ZQMBBIINZAOYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-13(11-3-5-12(17)6-4-11)15-8-7-14-16-9-10-18-14/h3-6,9-10,13,15,17H,2,7-8H2,1H3.
What are the key properties of 4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol?
4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol has a molecular weight of 262.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol is sourced from PubChem (CID 63242196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).