[2-(ethylsulfonylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol

C9H15NO4S2 — CID 82440762

IUPAC[2-(ethylsulfonylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCCS(=O)(=O)Cc1nc(COC)c(CO)s1
InChIInChI=1S/C9H15NO4S2/c1-3-16(12,13)6-9-10-7(5-14-2)8(4-11)15-9/h11H,3-6H2,1-2H3
InChIKeySZNJNKSUUPICCW-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.72
Rot. Bonds6

About [2-(ethylsulfonylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol

[2-(ethylsulfonylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 82440762) has the molecular formula C9H15NO4S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [2-(ethylsulfonylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(ethylsulfonylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
PubChem CID82440762
Molecular FormulaC9H15NO4S2
Molecular Weight265.36 g/mol
Exact Mass265.04
IUPAC Name[2-(ethylsulfonylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCCS(=O)(=O)Cc1nc(COC)c(CO)s1
InChIInChI=1S/C9H15NO4S2/c1-3-16(12,13)6-9-10-7(5-14-2)8(4-11)15-9/h11H,3-6H2,1-2H3
InChIKeySZNJNKSUUPICCW-UHFFFAOYSA-N
XLogP0.72
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440799
[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82440580
[2-[2-(4-ethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441054
[4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
CID 82441695
[2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82440501
[4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol
CID 82440591
[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methanol
CID 82428335
[4-(methoxymethyl)-2-[methyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 107510871
1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone
CID 82440757
[2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82440112
[4-(methoxymethyl)-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82441109
[2-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441072

Frequently Asked Questions

What is the IUPAC name of [2-(ethylsulfonylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(ethylsulfonylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (CID 82440762) is [2-(ethylsulfonylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(ethylsulfonylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(ethylsulfonylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is CCS(=O)(=O)Cc1nc(COC)c(CO)s1.
What is the InChIKey of [2-(ethylsulfonylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is SZNJNKSUUPICCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S2/c1-3-16(12,13)6-9-10-7(5-14-2)8(4-11)15-9/h11H,3-6H2,1-2H3.
What are the key properties of [2-(ethylsulfonylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
[2-(ethylsulfonylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 265.36 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylsulfonylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82440762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).