1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol

C16H22N2O2S — CID 105101479

IUPAC1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2snnc2C(C)(C)C)cc1
InChIInChI=1S/C16H22N2O2S/c1-16(2,3)15-14(21-18-17-15)13(19)10-7-11-5-8-12(20-4)9-6-11/h5-6,8-9,13,19H,7,10H2,1-4H3
InChIKeyBGEJHIJYYIKHCI-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.51
Rot. Bonds5

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

1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 105101479) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol
PubChem CID105101479
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2snnc2C(C)(C)C)cc1
InChIInChI=1S/C16H22N2O2S/c1-16(2,3)15-14(21-18-17-15)13(19)10-7-11-5-8-12(20-4)9-6-11/h5-6,8-9,13,19H,7,10H2,1-4H3
InChIKeyBGEJHIJYYIKHCI-UHFFFAOYSA-N
XLogP3.51
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.51
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)-2-(3-methoxyphenyl)ethanol
CID 105087087
3-(4-methoxyphenyl)-1-(thiadiazol-4-yl)propan-1-ol
CID 105101447
1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol
CID 105112166
(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103397508
1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol
CID 105085352
1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol
CID 105098628
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol
CID 105122577
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol (CID 105101479) is 1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(CCC(O)c2snnc2C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is BGEJHIJYYIKHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-16(2,3)15-14(21-18-17-15)13(19)10-7-11-5-8-12(20-4)9-6-11/h5-6,8-9,13,19H,7,10H2,1-4H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol?
1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol has a molecular weight of 306.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 105101479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).