[2-(methoxymethyl)-1,3-thiazol-5-yl]methanol

C6H9NO2S — CID 64980908

IUPAC[2-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCOCc1ncc(CO)s1
InChIInChI=1S/C6H9NO2S/c1-9-4-6-7-2-5(3-8)10-6/h2,8H,3-4H2,1H3
InChIKeyBCJKVNCPCFIWEO-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.78
Rot. Bonds3

About [2-(methoxymethyl)-1,3-thiazol-5-yl]methanol

[2-(methoxymethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 64980908) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is [2-(methoxymethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(methoxymethyl)-1,3-thiazol-5-yl]methanol
PubChem CID64980908
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name[2-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCOCc1ncc(CO)s1
InChIInChI=1S/C6H9NO2S/c1-9-4-6-7-2-5(3-8)10-6/h2,8H,3-4H2,1H3
InChIKeyBCJKVNCPCFIWEO-UHFFFAOYSA-N
XLogP0.78
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(methoxymethyl)-1,3-thiazol-5-yl]methanol (CID 64980908) is [2-(methoxymethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(methoxymethyl)-1,3-thiazol-5-yl]methanol is COCc1ncc(CO)s1.
What is the InChIKey of [2-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is BCJKVNCPCFIWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-9-4-6-7-2-5(3-8)10-6/h2,8H,3-4H2,1H3.
What are the key properties of [2-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
[2-(methoxymethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 159.21 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 64980908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).