1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanol

C8H13NOS — CID 54594886

IUPAC1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCCc1nc(C)c(C(C)O)s1
InChIInChI=1S/C8H13NOS/c1-4-7-9-5(2)8(11-7)6(3)10/h6,10H,4H2,1-3H3
InChIKeyWCQXPDSIATYONZ-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.07
Rot. Bonds2

About 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanol

1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanol (PubChem CID 54594886) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanol
PubChem CID54594886
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCCc1nc(C)c(C(C)O)s1
InChIInChI=1S/C8H13NOS/c1-4-7-9-5(2)8(11-7)6(3)10/h6,10H,4H2,1-3H3
InChIKeyWCQXPDSIATYONZ-UHFFFAOYSA-N
XLogP2.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanol (CID 54594886) is 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanol is CCc1nc(C)c(C(C)O)s1.
What is the InChIKey of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is WCQXPDSIATYONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-4-7-9-5(2)8(11-7)6(3)10/h6,10H,4H2,1-3H3.
What are the key properties of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanol?
1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 171.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 54594886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).