[2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol

C15H19NO2S — CID 82154469

IUPAC[2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol
SMILESCc1cccc(C)c1OCCCc1nc(CO)cs1
InChIInChI=1S/C15H19NO2S/c1-11-5-3-6-12(2)15(11)18-8-4-7-14-16-13(9-17)10-19-14/h3,5-6,10,17H,4,7-9H2,1-2H3
InChIKeyONDRISPXBJPVQN-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.26
Rot. Bonds6

About [2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol

[2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol (PubChem CID 82154469) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is [2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol
PubChem CID82154469
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name[2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol
SMILESCc1cccc(C)c1OCCCc1nc(CO)cs1
InChIInChI=1S/C15H19NO2S/c1-11-5-3-6-12(2)15(11)18-8-4-7-14-16-13(9-17)10-19-14/h3,5-6,10,17H,4,7-9H2,1-2H3
InChIKeyONDRISPXBJPVQN-UHFFFAOYSA-N
XLogP3.26
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(2,4,6-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methanol
CID 82154523
[2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol
CID 82154477
2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbothioamide
CID 82516384
O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 39363958
4-(chloromethyl)-2-[3-(3-methylphenoxy)propyl]-1,3-thiazole
CID 43320168
[2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-4-yl]methanol
CID 82154533
4-(chloromethyl)-2-(3-naphthalen-1-yloxypropyl)-1,3-thiazole
CID 43138117
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
4-(chloromethyl)-2-[3-(3,4-dimethylphenoxy)propyl]-1,3-thiazole
CID 43320166
N-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193824
2-[3-(4-bromo-3,5-dimethylphenoxy)propyl]-4-(chloromethyl)-1,3-thiazole
CID 107725433
4-(chloromethyl)-2-[3-(2,5-dimethylphenoxy)propyl]-1,3-thiazole
CID 43138105

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol (CID 82154469) is [2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol is Cc1cccc(C)c1OCCCc1nc(CO)cs1.
What is the InChIKey of [2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is ONDRISPXBJPVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-11-5-3-6-12(2)15(11)18-8-4-7-14-16-13(9-17)10-19-14/h3,5-6,10,17H,4,7-9H2,1-2H3.
What are the key properties of [2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol?
[2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 277.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 82154469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).