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

C13H16N2O2S — CID 167839143

IUPAC3-[[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]methyl]phenol
SMILESCOc1nscc1C(C)NCc1cccc(O)c1
InChIInChI=1S/C13H16N2O2S/c1-9(12-8-18-15-13(12)17-2)14-7-10-4-3-5-11(16)6-10/h3-6,8-9,14,16H,7H2,1-2H3
InChIKeyCTCRZCPNXWFWSV-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.71
Rot. Bonds5

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

3-[[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]methyl]phenol (PubChem CID 167839143) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]methyl]phenol
PubChem CID167839143
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-[[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]methyl]phenol
SMILESCOc1nscc1C(C)NCc1cccc(O)c1
InChIInChI=1S/C13H16N2O2S/c1-9(12-8-18-15-13(12)17-2)14-7-10-4-3-5-11(16)6-10/h3-6,8-9,14,16H,7H2,1-2H3
InChIKeyCTCRZCPNXWFWSV-UHFFFAOYSA-N
XLogP2.71
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
CID 146106309
1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
CID 146106306
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 43221156
3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol
CID 107714930
methyl 2-[(3-hydroxyphenyl)methylamino]propanoate
CID 60780652
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
3-[(butan-2-ylamino)methyl]phenol
CID 43177331
N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-1-(3-methoxy-1,2-thiazol-4-yl)ethanamine
CID 146144878
3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol
CID 43222033
3-[(2-methylpentan-3-ylamino)methyl]phenol
CID 61468670
3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol
CID 95336432
3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol
CID 43230942

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]methyl]phenol?
The IUPAC name of 3-[[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]methyl]phenol (CID 167839143) is 3-[[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 3-[[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]methyl]phenol?
The canonical SMILES for 3-[[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]methyl]phenol is COc1nscc1C(C)NCc1cccc(O)c1.
What is the InChIKey of 3-[[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]methyl]phenol?
The InChIKey is CTCRZCPNXWFWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9(12-8-18-15-13(12)17-2)14-7-10-4-3-5-11(16)6-10/h3-6,8-9,14,16H,7H2,1-2H3.
What are the key properties of 3-[[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]methyl]phenol?
3-[[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]methyl]phenol has a molecular weight of 264.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 167839143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).