2-[2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-ol

C16H21NO2S — CID 82516365

IUPAC2-[2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-ol
SMILESCc1ccc(OCCc2nc(C(C)(C)O)cs2)cc1C
InChIInChI=1S/C16H21NO2S/c1-11-5-6-13(9-12(11)2)19-8-7-15-17-14(10-20-15)16(3,4)18/h5-6,9-10,18H,7-8H2,1-4H3
InChIKeyAKTXJGFAYRCFGN-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.61
Rot. Bonds5

About 2-[2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-ol

2-[2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 82516365) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-ol
PubChem CID82516365
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name2-[2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-ol
SMILESCc1ccc(OCCc2nc(C(C)(C)O)cs2)cc1C
InChIInChI=1S/C16H21NO2S/c1-11-5-6-13(9-12(11)2)19-8-7-15-17-14(10-20-15)16(3,4)18/h5-6,9-10,18H,7-8H2,1-4H3
InChIKeyAKTXJGFAYRCFGN-UHFFFAOYSA-N
XLogP3.61
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazole
CID 173195232
4-(chloromethyl)-2-[3-(3,4-dimethylphenoxy)propyl]-1,3-thiazole
CID 43320166
4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline
CID 82163122
2-[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 82516430
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890539
[2-[2-(3,4-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82432524
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol
CID 60878783
3-[2-[2-(3,4-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 94760768
3-(3,4-dimethylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 78863563
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol
CID 82515336

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-ol (CID 82516365) is 2-[2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-ol is Cc1ccc(OCCc2nc(C(C)(C)O)cs2)cc1C.
What is the InChIKey of 2-[2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-ol?
The InChIKey is AKTXJGFAYRCFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-11-5-6-13(9-12(11)2)19-8-7-15-17-14(10-20-15)16(3,4)18/h5-6,9-10,18H,7-8H2,1-4H3.
What are the key properties of 2-[2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-ol?
2-[2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-ol has a molecular weight of 291.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 82516365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).