3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol

C15H19NOS — CID 116889146

IUPAC3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol
SMILESCc1cc(C)c(-c2nc(CCCO)cs2)c(C)c1
InChIInChI=1S/C15H19NOS/c1-10-7-11(2)14(12(3)8-10)15-16-13(9-18-15)5-4-6-17/h7-9,17H,4-6H2,1-3H3
InChIKeyFCSQMVODUQRIJF-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.66
Rot. Bonds4

About 3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol

3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol (PubChem CID 116889146) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol
PubChem CID116889146
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol
SMILESCc1cc(C)c(-c2nc(CCCO)cs2)c(C)c1
InChIInChI=1S/C15H19NOS/c1-10-7-11(2)14(12(3)8-10)15-16-13(9-18-15)5-4-6-17/h7-9,17H,4-6H2,1-3H3
InChIKeyFCSQMVODUQRIJF-UHFFFAOYSA-N
XLogP3.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol
CID 116889763
4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 116891883
4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 83158896
3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 82124643
3-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 116889140
3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 94275533
2-[2-(2-methoxy-5-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 82087185
3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 116888293
2-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]ethanol
CID 115089075
3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888287
4-dodecyl-2-(4-dodecyl-1,3-thiazol-2-yl)-1,3-thiazole
CID 141353675
3-[2-(1,3-benzoxazol-6-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 116889155

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol?
The IUPAC name of 3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol (CID 116889146) is 3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol is Cc1cc(C)c(-c2nc(CCCO)cs2)c(C)c1.
What is the InChIKey of 3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol?
The InChIKey is FCSQMVODUQRIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-10-7-11(2)14(12(3)8-10)15-16-13(9-18-15)5-4-6-17/h7-9,17H,4-6H2,1-3H3.
What are the key properties of 3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol?
3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol is sourced from PubChem (CID 116889146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).