dideuterio-(3-ethoxy-1,2-thiazol-5-yl)methanol

C6H9NO2S — CID 10419483

IUPACdideuterio-(3-ethoxy-1,2-thiazol-5-yl)methanol
SMILES[2H]C([2H])(O)c1cc(OCC)ns1
InChIInChI=1S/C6H9NO2S/c1-2-9-6-3-5(4-8)10-7-6/h3,8H,2,4H2,1H3/i4D2
InChIKeyMALBEVJIAXSSOC-APZFVMQVSA-N
MW161.22 g/mol
LogP1.03
Rot. Bonds3

About dideuterio-(3-ethoxy-1,2-thiazol-5-yl)methanol

dideuterio-(3-ethoxy-1,2-thiazol-5-yl)methanol (PubChem CID 10419483) has the molecular formula C6H9NO2S and a molecular weight of 161.22 g/mol. Its IUPAC name is dideuterio-(3-ethoxy-1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Namedideuterio-(3-ethoxy-1,2-thiazol-5-yl)methanol
PubChem CID10419483
Molecular FormulaC6H9NO2S
Molecular Weight161.22 g/mol
Exact Mass161.05
IUPAC Namedideuterio-(3-ethoxy-1,2-thiazol-5-yl)methanol
SMILES[2H]C([2H])(O)c1cc(OCC)ns1
InChIInChI=1S/C6H9NO2S/c1-2-9-6-3-5(4-8)10-7-6/h3,8H,2,4H2,1H3/i4D2
InChIKeyMALBEVJIAXSSOC-APZFVMQVSA-N
XLogP1.03
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dideuterio-(3-ethoxy-1,2-thiazol-5-yl)methanol?
The IUPAC name of dideuterio-(3-ethoxy-1,2-thiazol-5-yl)methanol (CID 10419483) is dideuterio-(3-ethoxy-1,2-thiazol-5-yl)methanol.
What is the SMILES notation for dideuterio-(3-ethoxy-1,2-thiazol-5-yl)methanol?
The canonical SMILES for dideuterio-(3-ethoxy-1,2-thiazol-5-yl)methanol is [2H]C([2H])(O)c1cc(OCC)ns1.
What is the InChIKey of dideuterio-(3-ethoxy-1,2-thiazol-5-yl)methanol?
The InChIKey is MALBEVJIAXSSOC-APZFVMQVSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-2-9-6-3-5(4-8)10-7-6/h3,8H,2,4H2,1H3/i4D2.
What are the key properties of dideuterio-(3-ethoxy-1,2-thiazol-5-yl)methanol?
dideuterio-(3-ethoxy-1,2-thiazol-5-yl)methanol has a molecular weight of 161.22 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio-(3-ethoxy-1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 10419483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).