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

C11H20N2O2S — CID 115897163

IUPAC1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
SMILESCOCC(O)CCNC(C)c1scnc1C
InChIInChI=1S/C11H20N2O2S/c1-8(11-9(2)13-7-16-11)12-5-4-10(14)6-15-3/h7-8,10,12,14H,4-6H2,1-3H3
InChIKeyMUBRUMYSMNCLEB-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.50
Rot. Bonds7

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

1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol (PubChem CID 115897163) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
PubChem CID115897163
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
SMILESCOCC(O)CCNC(C)c1scnc1C
InChIInChI=1S/C11H20N2O2S/c1-8(11-9(2)13-7-16-11)12-5-4-10(14)6-15-3/h7-8,10,12,14H,4-6H2,1-3H3
InChIKeyMUBRUMYSMNCLEB-UHFFFAOYSA-N
XLogP1.50
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 104579913
1-methoxy-4-[1-(1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 115897202
6-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]hexan-1-ol
CID 115906803
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol
CID 103906007
N-(cyclopentylmethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43775593
2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 82411798
2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol
CID 115895184
2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 81338939
3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 43770856
1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63831687
N-(2-ethylsulfinylethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 115718811
1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine
CID 115719853

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol (CID 115897163) is 1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol is COCC(O)CCNC(C)c1scnc1C.
What is the InChIKey of 1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol?
The InChIKey is MUBRUMYSMNCLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-8(11-9(2)13-7-16-11)12-5-4-10(14)6-15-3/h7-8,10,12,14H,4-6H2,1-3H3.
What are the key properties of 1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol?
1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol has a molecular weight of 244.36 g/mol, XLogP of 1.50, 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-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 115897163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).