3-(4-methoxyphenyl)-1-(thiadiazol-4-yl)propan-1-ol

C12H14N2O2S — CID 105101447

IUPAC3-(4-methoxyphenyl)-1-(thiadiazol-4-yl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2csnn2)cc1
InChIInChI=1S/C12H14N2O2S/c1-16-10-5-2-9(3-6-10)4-7-12(15)11-8-17-14-13-11/h2-3,5-6,8,12,15H,4,7H2,1H3
InChIKeyIAZNGYSERPKYFQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.21
Rot. Bonds5

About 3-(4-methoxyphenyl)-1-(thiadiazol-4-yl)propan-1-ol

3-(4-methoxyphenyl)-1-(thiadiazol-4-yl)propan-1-ol (PubChem CID 105101447) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(thiadiazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(thiadiazol-4-yl)propan-1-ol
PubChem CID105101447
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name3-(4-methoxyphenyl)-1-(thiadiazol-4-yl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2csnn2)cc1
InChIInChI=1S/C12H14N2O2S/c1-16-10-5-2-9(3-6-10)4-7-12(15)11-8-17-14-13-11/h2-3,5-6,8,12,15H,4,7H2,1H3
InChIKeyIAZNGYSERPKYFQ-UHFFFAOYSA-N
XLogP2.21
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol
CID 105101400
1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 105101479
2-(4-methylphenyl)-1-(thiadiazol-4-yl)ethanol
CID 105077364
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 61086865
N-[(4-methoxyphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 105095117
5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-ol
CID 105120610
3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol
CID 79423809
2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid
CID 65059878
1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803168
3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115803243

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(thiadiazol-4-yl)propan-1-ol?
The IUPAC name of 3-(4-methoxyphenyl)-1-(thiadiazol-4-yl)propan-1-ol (CID 105101447) is 3-(4-methoxyphenyl)-1-(thiadiazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(thiadiazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(thiadiazol-4-yl)propan-1-ol is COc1ccc(CCC(O)c2csnn2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(thiadiazol-4-yl)propan-1-ol?
The InChIKey is IAZNGYSERPKYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-16-10-5-2-9(3-6-10)4-7-12(15)11-8-17-14-13-11/h2-3,5-6,8,12,15H,4,7H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(thiadiazol-4-yl)propan-1-ol?
3-(4-methoxyphenyl)-1-(thiadiazol-4-yl)propan-1-ol has a molecular weight of 250.32 g/mol, XLogP of 2.21, 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-(thiadiazol-4-yl)propan-1-ol is sourced from PubChem (CID 105101447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).