1-(3-methoxy-1,2-thiazol-5-yl)ethanol

C6H9NO2S — CID 126999944

IUPAC1-(3-methoxy-1,2-thiazol-5-yl)ethanol
SMILESCOc1cc(C(C)O)sn1
InChIInChI=1S/C6H9NO2S/c1-4(8)5-3-6(9-2)7-10-5/h3-4,8H,1-2H3
InChIKeyOWBAQBPNGZSTHD-UHFFFAOYSA-N
MW159.21 g/mol
LogP1.21
Rot. Bonds2

About 1-(3-methoxy-1,2-thiazol-5-yl)ethanol

1-(3-methoxy-1,2-thiazol-5-yl)ethanol (PubChem CID 126999944) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 1-(3-methoxy-1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-methoxy-1,2-thiazol-5-yl)ethanol
PubChem CID126999944
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name1-(3-methoxy-1,2-thiazol-5-yl)ethanol
SMILESCOc1cc(C(C)O)sn1
InChIInChI=1S/C6H9NO2S/c1-4(8)5-3-6(9-2)7-10-5/h3-4,8H,1-2H3
InChIKeyOWBAQBPNGZSTHD-UHFFFAOYSA-N
XLogP1.21
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1,2-thiazol-5-yl)ethanol?
The IUPAC name of 1-(3-methoxy-1,2-thiazol-5-yl)ethanol (CID 126999944) is 1-(3-methoxy-1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-methoxy-1,2-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(3-methoxy-1,2-thiazol-5-yl)ethanol is COc1cc(C(C)O)sn1.
What is the InChIKey of 1-(3-methoxy-1,2-thiazol-5-yl)ethanol?
The InChIKey is OWBAQBPNGZSTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-4(8)5-3-6(9-2)7-10-5/h3-4,8H,1-2H3.
What are the key properties of 1-(3-methoxy-1,2-thiazol-5-yl)ethanol?
1-(3-methoxy-1,2-thiazol-5-yl)ethanol has a molecular weight of 159.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 126999944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).