2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol

C16H21NO3S — CID 82515913

IUPAC2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCCCOc1ccc(-c2nc(C(C)(C)O)cs2)cc1OC
InChIInChI=1S/C16H21NO3S/c1-5-8-20-12-7-6-11(9-13(12)19-4)15-17-14(10-21-15)16(2,3)18/h6-7,9-10,18H,5,8H2,1-4H3
InChIKeyCKVIIPXOZPUYDY-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.83
Rot. Bonds6

About 2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol

2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 82515913) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
PubChem CID82515913
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCCCOc1ccc(-c2nc(C(C)(C)O)cs2)cc1OC
InChIInChI=1S/C16H21NO3S/c1-5-8-20-12-7-6-11(9-13(12)19-4)15-17-14(10-21-15)16(2,3)18/h6-7,9-10,18H,5,8H2,1-4H3
InChIKeyCKVIIPXOZPUYDY-UHFFFAOYSA-N
XLogP3.83
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515880
2-(3-methoxy-4-propoxyphenyl)-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068006
2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890539
2-[2-(2-methoxy-5-methylphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890545
2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427189
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422
N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 4826071
3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 46043975
2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 107922554
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline
CID 82152285
5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152400
4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82430197

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol (CID 82515913) is 2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol is CCCOc1ccc(-c2nc(C(C)(C)O)cs2)cc1OC.
What is the InChIKey of 2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol?
The InChIKey is CKVIIPXOZPUYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-5-8-20-12-7-6-11(9-13(12)19-4)15-17-14(10-21-15)16(2,3)18/h6-7,9-10,18H,5,8H2,1-4H3.
What are the key properties of 2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol?
2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol has a molecular weight of 307.42 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 82515913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).