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

C15H19NO4S — CID 82440112

IUPAC[2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(Cc2ccc(OC)c(OC)c2)sc1CO
InChIInChI=1S/C15H19NO4S/c1-18-9-11-14(8-17)21-15(16-11)7-10-4-5-12(19-2)13(6-10)20-3/h4-6,17H,7-9H2,1-3H3
InChIKeyVNVPWVBBEBAPFG-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.39
Rot. Bonds7

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

[2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 82440112) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is [2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
PubChem CID82440112
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name[2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(Cc2ccc(OC)c(OC)c2)sc1CO
InChIInChI=1S/C15H19NO4S/c1-18-9-11-14(8-17)21-15(16-11)7-10-4-5-12(19-2)13(6-10)20-3/h4-6,17H,7-9H2,1-3H3
InChIKeyVNVPWVBBEBAPFG-UHFFFAOYSA-N
XLogP2.39
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol
CID 82436116
[2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441267
1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366014
[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82440580
[2-[2-(2,4-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441066
5-[(3,4-dimethoxyphenyl)methyl]-3-iodo-1,2,4-thiadiazole
CID 102943641
[4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol
CID 82440591
[2-[2-(4-ethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441054
N-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366170
[2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440089
[2-[(2,6-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82440501
[4-(methoxymethyl)-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82441109

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (CID 82440112) is [2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is COCc1nc(Cc2ccc(OC)c(OC)c2)sc1CO.
What is the InChIKey of [2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is VNVPWVBBEBAPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-18-9-11-14(8-17)21-15(16-11)7-10-4-5-12(19-2)13(6-10)20-3/h4-6,17H,7-9H2,1-3H3.
What are the key properties of [2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
[2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 309.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82440112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).