[2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol

C15H19NO3S — CID 82440501

IUPAC[2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(COc2c(C)cccc2C)sc1CO
InChIInChI=1S/C15H19NO3S/c1-10-5-4-6-11(2)15(10)19-9-14-16-12(8-18-3)13(7-17)20-14/h4-6,17H,7-9H2,1-3H3
InChIKeyKFWZRQFPQLRXAY-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.98
Rot. Bonds6

About [2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol

[2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 82440501) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is [2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
PubChem CID82440501
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name[2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(COc2c(C)cccc2C)sc1CO
InChIInChI=1S/C15H19NO3S/c1-10-5-4-6-11(2)15(10)19-9-14-16-12(8-18-3)13(7-17)20-14/h4-6,17H,7-9H2,1-3H3
InChIKeyKFWZRQFPQLRXAY-UHFFFAOYSA-N
XLogP2.98
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441072
[2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82431915
[4-(methoxymethyl)-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82440408
[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82440580
[4-(methoxymethyl)-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82441109
[2-[(2,3-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440480
1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82428977
[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133378
[4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol
CID 82440591
[2-[2-(2,4-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441066
2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide
CID 82428979
1-[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 94284215

Frequently Asked Questions

What is the IUPAC name of [2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (CID 82440501) is [2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is COCc1nc(COc2c(C)cccc2C)sc1CO.
What is the InChIKey of [2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is KFWZRQFPQLRXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-10-5-4-6-11(2)15(10)19-9-14-16-12(8-18-3)13(7-17)20-14/h4-6,17H,7-9H2,1-3H3.
What are the key properties of [2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
[2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 293.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82440501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).