[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol

C14H17NO3S — CID 117098981

IUPAC[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol
SMILESCCOc1ccc(-c2nc(CO)c(C)s2)cc1OC
InChIInChI=1S/C14H17NO3S/c1-4-18-12-6-5-10(7-13(12)17-3)14-15-11(8-16)9(2)19-14/h5-7,16H,4,8H2,1-3H3
InChIKeyBFHBFHNJFCLADB-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.02
Rot. Bonds5

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

[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol (PubChem CID 117098981) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is [2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol
PubChem CID117098981
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol
SMILESCCOc1ccc(-c2nc(CO)c(C)s2)cc1OC
InChIInChI=1S/C14H17NO3S/c1-4-18-12-6-5-10(7-13(12)17-3)14-15-11(8-16)9(2)19-14/h5-7,16H,4,8H2,1-3H3
InChIKeyBFHBFHNJFCLADB-UHFFFAOYSA-N
XLogP3.02
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethoxy-3-methoxyphenyl)-5-ethyl-1,3-thiazol-4-yl]methanol
CID 117099049
2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427189
[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427187
[2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441267
[2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol
CID 82430204
[5-methyl-2-(2-methyl-4-pyridinyl)-1,3-thiazol-4-yl]methanol
CID 170067348
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152
[2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427206
[4-tert-butyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82439229
[5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 84608504
2-[[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 126699935
2-(3,4-diethoxyphenyl)-4-ethyl-1,3-thiazole-5-carbonitrile
CID 82430209

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol (CID 117098981) is [2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol is CCOc1ccc(-c2nc(CO)c(C)s2)cc1OC.
What is the InChIKey of [2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol?
The InChIKey is BFHBFHNJFCLADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-4-18-12-6-5-10(7-13(12)17-3)14-15-11(8-16)9(2)19-14/h5-7,16H,4,8H2,1-3H3.
What are the key properties of [2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol?
[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol has a molecular weight of 279.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 117098981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).