3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol

C13H16N2O2S — CID 105101400

IUPAC3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2snnc2C)cc1
InChIInChI=1S/C13H16N2O2S/c1-9-13(18-15-14-9)12(16)8-5-10-3-6-11(17-2)7-4-10/h3-4,6-7,12,16H,5,8H2,1-2H3
InChIKeyKAYKXCJRVCIVSQ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.52
Rot. Bonds5

About 3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol

3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol (PubChem CID 105101400) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol
PubChem CID105101400
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2snnc2C)cc1
InChIInChI=1S/C13H16N2O2S/c1-9-13(18-15-14-9)12(16)8-5-10-3-6-11(17-2)7-4-10/h3-4,6-7,12,16H,5,8H2,1-2H3
InChIKeyKAYKXCJRVCIVSQ-UHFFFAOYSA-N
XLogP2.52
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 105101479
3-(4-methoxyphenyl)-1-(thiadiazol-4-yl)propan-1-ol
CID 105101447
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 61086865
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105084474
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
(4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105095522
1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803168
1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107516243
1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 102441860
N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107985716

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol?
The IUPAC name of 3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol (CID 105101400) is 3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol is COc1ccc(CCC(O)c2snnc2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol?
The InChIKey is KAYKXCJRVCIVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-13(18-15-14-9)12(16)8-5-10-3-6-11(17-2)7-4-10/h3-4,6-7,12,16H,5,8H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol?
3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol has a molecular weight of 264.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol is sourced from PubChem (CID 105101400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).