1-methoxy-4-[1-(1,3-thiazol-5-yl)ethylamino]butan-2-ol

C10H18N2O2S — CID 115897202

IUPAC1-methoxy-4-[1-(1,3-thiazol-5-yl)ethylamino]butan-2-ol
SMILESCOCC(O)CCNC(C)c1cncs1
InChIInChI=1S/C10H18N2O2S/c1-8(10-5-11-7-15-10)12-4-3-9(13)6-14-2/h5,7-9,12-13H,3-4,6H2,1-2H3
InChIKeyAEYBHULTEPSZDH-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.19
Rot. Bonds7

About 1-methoxy-4-[1-(1,3-thiazol-5-yl)ethylamino]butan-2-ol

1-methoxy-4-[1-(1,3-thiazol-5-yl)ethylamino]butan-2-ol (PubChem CID 115897202) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-methoxy-4-[1-(1,3-thiazol-5-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[1-(1,3-thiazol-5-yl)ethylamino]butan-2-ol
PubChem CID115897202
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name1-methoxy-4-[1-(1,3-thiazol-5-yl)ethylamino]butan-2-ol
SMILESCOCC(O)CCNC(C)c1cncs1
InChIInChI=1S/C10H18N2O2S/c1-8(10-5-11-7-15-10)12-4-3-9(13)6-14-2/h5,7-9,12-13H,3-4,6H2,1-2H3
InChIKeyAEYBHULTEPSZDH-UHFFFAOYSA-N
XLogP1.19
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 115897163
3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115706255
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol
CID 103906007
1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol
CID 115718069
N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine
CID 115706170
N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide
CID 115712697
3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115707940
N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide
CID 115713369
3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol
CID 115714735
1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
CID 115707088
N-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 103775879
4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
CID 107093913

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-(1,3-thiazol-5-yl)ethylamino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[1-(1,3-thiazol-5-yl)ethylamino]butan-2-ol (CID 115897202) is 1-methoxy-4-[1-(1,3-thiazol-5-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[1-(1,3-thiazol-5-yl)ethylamino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[1-(1,3-thiazol-5-yl)ethylamino]butan-2-ol is COCC(O)CCNC(C)c1cncs1.
What is the InChIKey of 1-methoxy-4-[1-(1,3-thiazol-5-yl)ethylamino]butan-2-ol?
The InChIKey is AEYBHULTEPSZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-8(10-5-11-7-15-10)12-4-3-9(13)6-14-2/h5,7-9,12-13H,3-4,6H2,1-2H3.
What are the key properties of 1-methoxy-4-[1-(1,3-thiazol-5-yl)ethylamino]butan-2-ol?
1-methoxy-4-[1-(1,3-thiazol-5-yl)ethylamino]butan-2-ol has a molecular weight of 230.33 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1-(1,3-thiazol-5-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 115897202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).