3-[2-amino-1-(4-methyl-1,3-thiazol-2-yl)ethoxy]butan-2-ol

C10H18N2O2S — CID 103377235

IUPAC3-[2-amino-1-(4-methyl-1,3-thiazol-2-yl)ethoxy]butan-2-ol
SMILESCc1csc(C(CN)OC(C)C(C)O)n1
InChIInChI=1S/C10H18N2O2S/c1-6-5-15-10(12-6)9(4-11)14-8(3)7(2)13/h5,7-9,13H,4,11H2,1-3H3
InChIKeyLXGQYBNTHLLDLG-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.24
Rot. Bonds5

About 3-[2-amino-1-(4-methyl-1,3-thiazol-2-yl)ethoxy]butan-2-ol

3-[2-amino-1-(4-methyl-1,3-thiazol-2-yl)ethoxy]butan-2-ol (PubChem CID 103377235) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-[2-amino-1-(4-methyl-1,3-thiazol-2-yl)ethoxy]butan-2-ol.

Molecular Properties

Compound Name3-[2-amino-1-(4-methyl-1,3-thiazol-2-yl)ethoxy]butan-2-ol
PubChem CID103377235
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name3-[2-amino-1-(4-methyl-1,3-thiazol-2-yl)ethoxy]butan-2-ol
SMILESCc1csc(C(CN)OC(C)C(C)O)n1
InChIInChI=1S/C10H18N2O2S/c1-6-5-15-10(12-6)9(4-11)14-8(3)7(2)13/h5,7-9,13H,4,11H2,1-3H3
InChIKeyLXGQYBNTHLLDLG-UHFFFAOYSA-N
XLogP1.24
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-1-(4-methyl-1,3-thiazol-2-yl)ethoxy]butan-2-ol?
The IUPAC name of 3-[2-amino-1-(4-methyl-1,3-thiazol-2-yl)ethoxy]butan-2-ol (CID 103377235) is 3-[2-amino-1-(4-methyl-1,3-thiazol-2-yl)ethoxy]butan-2-ol.
What is the SMILES notation for 3-[2-amino-1-(4-methyl-1,3-thiazol-2-yl)ethoxy]butan-2-ol?
The canonical SMILES for 3-[2-amino-1-(4-methyl-1,3-thiazol-2-yl)ethoxy]butan-2-ol is Cc1csc(C(CN)OC(C)C(C)O)n1.
What is the InChIKey of 3-[2-amino-1-(4-methyl-1,3-thiazol-2-yl)ethoxy]butan-2-ol?
The InChIKey is LXGQYBNTHLLDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-6-5-15-10(12-6)9(4-11)14-8(3)7(2)13/h5,7-9,13H,4,11H2,1-3H3.
What are the key properties of 3-[2-amino-1-(4-methyl-1,3-thiazol-2-yl)ethoxy]butan-2-ol?
3-[2-amino-1-(4-methyl-1,3-thiazol-2-yl)ethoxy]butan-2-ol has a molecular weight of 230.33 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-1-(4-methyl-1,3-thiazol-2-yl)ethoxy]butan-2-ol is sourced from PubChem (CID 103377235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).