2-[2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]phenoxy]ethanol

C17H22N2O2S — CID 110017286

IUPAC2-[2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]phenoxy]ethanol
SMILESCC(NCc1ccccc1OCCO)c1nc2c(s1)CCC2
InChIInChI=1S/C17H22N2O2S/c1-12(17-19-14-6-4-8-16(14)22-17)18-11-13-5-2-3-7-15(13)21-10-9-20/h2-3,5,7,12,18,20H,4,6,8-11H2,1H3
InChIKeyIBMFAVIHAORLPV-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.85
Rot. Bonds7

About 2-[2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]phenoxy]ethanol

2-[2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]phenoxy]ethanol (PubChem CID 110017286) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-[2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]phenoxy]ethanol
PubChem CID110017286
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2-[2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]phenoxy]ethanol
SMILESCC(NCc1ccccc1OCCO)c1nc2c(s1)CCC2
InChIInChI=1S/C17H22N2O2S/c1-12(17-19-14-6-4-8-16(14)22-17)18-11-13-5-2-3-7-15(13)21-10-9-20/h2-3,5,7,12,18,20H,4,6,8-11H2,1H3
InChIKeyIBMFAVIHAORLPV-UHFFFAOYSA-N
XLogP2.85
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]phenoxy]ethanol with MolForge

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Related Compounds

N-[(4-tert-butyl-3-pyridinyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine
CID 154775767
2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol
CID 97232707
(2S)-1-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]propan-2-ol
CID 103906390
[3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]oxetan-3-yl]methanol
CID 110017310
2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol
CID 110010841
(1R)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]ethanamine
CID 97251215
1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110017270
(1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine
CID 71178192
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 46736198
2-[2-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]phenoxy]ethanol
CID 110010842
4-oxo-4-phenyl-N-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]butanamide
CID 95318867
1-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-N-methylethanamine
CID 5152860

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]phenoxy]ethanol (CID 110017286) is 2-[2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]phenoxy]ethanol is CC(NCc1ccccc1OCCO)c1nc2c(s1)CCC2.
What is the InChIKey of 2-[2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]phenoxy]ethanol?
The InChIKey is IBMFAVIHAORLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-12(17-19-14-6-4-8-16(14)22-17)18-11-13-5-2-3-7-15(13)21-10-9-20/h2-3,5,7,12,18,20H,4,6,8-11H2,1H3.
What are the key properties of 2-[2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]phenoxy]ethanol?
2-[2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]phenoxy]ethanol has a molecular weight of 318.44 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]phenoxy]ethanol is sourced from PubChem (CID 110017286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).