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

C16H21NO3S — CID 82427169

IUPAC2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCCOc1c(OC)cccc1-c1nc(C)c(C(C)(C)O)s1
InChIInChI=1S/C16H21NO3S/c1-6-20-13-11(8-7-9-12(13)19-5)15-17-10(2)14(21-15)16(3,4)18/h7-9,18H,6H2,1-5H3
InChIKeyXPRAVFFKBMLCOH-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.75
Rot. Bonds5

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

2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82427169) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82427169
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCCOc1c(OC)cccc1-c1nc(C)c(C(C)(C)O)s1
InChIInChI=1S/C16H21NO3S/c1-6-20-13-11(8-7-9-12(13)19-5)15-17-10(2)14(21-15)16(3,4)18/h7-9,18H,6H2,1-5H3
InChIKeyXPRAVFFKBMLCOH-UHFFFAOYSA-N
XLogP3.75
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole
CID 16766166
2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427189
[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82191248
2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515948
1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430165
2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 20991959
[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441264
[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82441266
2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
CID 39902669
2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82427117
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427139
1-[2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280126

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol (CID 82427169) is 2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol is CCOc1c(OC)cccc1-c1nc(C)c(C(C)(C)O)s1.
What is the InChIKey of 2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is XPRAVFFKBMLCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-6-20-13-11(8-7-9-12(13)19-5)15-17-10(2)14(21-15)16(3,4)18/h7-9,18H,6H2,1-5H3.
What are the key properties of 2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 307.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82427169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).