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

C14H17NO4S — CID 82441267

IUPAC[2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(-c2ccc(OC)c(OC)c2)sc1CO
InChIInChI=1S/C14H17NO4S/c1-17-8-10-13(7-16)20-14(15-10)9-4-5-11(18-2)12(6-9)19-3/h4-6,16H,7-8H2,1-3H3
InChIKeyNRGUMDMWDBXPFA-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.47
Rot. Bonds6

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

[2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 82441267) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
PubChem CID82441267
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name[2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(-c2ccc(OC)c(OC)c2)sc1CO
InChIInChI=1S/C14H17NO4S/c1-17-8-10-13(7-16)20-14(15-10)9-4-5-11(18-2)12(6-9)19-3/h4-6,16H,7-8H2,1-3H3
InChIKeyNRGUMDMWDBXPFA-UHFFFAOYSA-N
XLogP2.47
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-tert-butyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82439229
[2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82440112
[2-(4-ethoxy-3-methoxyphenyl)-5-ethyl-1,3-thiazol-4-yl]methanol
CID 117099049
[2-(4-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441217
[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098981
[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441264
[2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82133850
[2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441284
4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol
CID 136889279
2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
CID 82430183
[5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 84608504
[2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol
CID 82430204

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (CID 82441267) is [2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is COCc1nc(-c2ccc(OC)c(OC)c2)sc1CO.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is NRGUMDMWDBXPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-17-8-10-13(7-16)20-14(15-10)9-4-5-11(18-2)12(6-9)19-3/h4-6,16H,7-8H2,1-3H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
[2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 295.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82441267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).