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

C16H21NO3S — CID 82427189

IUPAC2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCCOc1ccc(-c2nc(C)c(C(C)(C)O)s2)cc1OC
InChIInChI=1S/C16H21NO3S/c1-6-20-12-8-7-11(9-13(12)19-5)15-17-10(2)14(21-15)16(3,4)18/h7-9,18H,6H2,1-5H3
InChIKeyXQQFICBJNZKJCR-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.75
Rot. Bonds5

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

2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82427189) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82427189
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCCOc1ccc(-c2nc(C)c(C(C)(C)O)s2)cc1OC
InChIInChI=1S/C16H21NO3S/c1-6-20-12-8-7-11(9-13(12)19-5)15-17-10(2)14(21-15)16(3,4)18/h7-9,18H,6H2,1-5H3
InChIKeyXQQFICBJNZKJCR-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-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427187
[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098981
2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427169
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
[2-(4-ethoxy-3-methoxyphenyl)-5-ethyl-1,3-thiazol-4-yl]methanol
CID 117099049
2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82427117
2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
CID 82430183
2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 116886628
2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 20989432
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427139
2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 82515913

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol (CID 82427189) is 2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol is CCOc1ccc(-c2nc(C)c(C(C)(C)O)s2)cc1OC.
What is the InChIKey of 2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is XQQFICBJNZKJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-6-20-12-8-7-11(9-13(12)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-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
2-[2-(4-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-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82427189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).