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

C14H17NO4S — CID 82440580

IUPAC[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(COc2ccc(OC)cc2)sc1CO
InChIInChI=1S/C14H17NO4S/c1-17-8-12-13(7-16)20-14(15-12)9-19-11-5-3-10(18-2)4-6-11/h3-6,16H,7-9H2,1-2H3
InChIKeyONEYPGKXLLPRRH-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.37
Rot. Bonds7

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

[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol (PubChem CID 82440580) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol
PubChem CID82440580
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(COc2ccc(OC)cc2)sc1CO
InChIInChI=1S/C14H17NO4S/c1-17-8-12-13(7-16)20-14(15-12)9-19-11-5-3-10(18-2)4-6-11/h3-6,16H,7-9H2,1-2H3
InChIKeyONEYPGKXLLPRRH-UHFFFAOYSA-N
XLogP2.37
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440582
[4-(methoxymethyl)-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82440408
[2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82440501
[2-[2-(4-ethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441054
[4-(methoxymethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82440431
N-[[2-[(4-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440542
[4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82440577
1-[4-(methoxymethyl)-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440375
[2-(4-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441217
[4-(methoxymethyl)-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82441109
[2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82440112
[4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol
CID 82440591

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol (CID 82440580) is [4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol is COCc1nc(COc2ccc(OC)cc2)sc1CO.
What is the InChIKey of [4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is ONEYPGKXLLPRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-17-8-12-13(7-16)20-14(15-12)9-19-11-5-3-10(18-2)4-6-11/h3-6,16H,7-9H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol?
[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 295.36 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82440580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).