1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol

C12H13IN2OS — CID 105101035

IUPAC1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol
SMILESCCc1nnsc1C(O)Cc1ccc(I)cc1
InChIInChI=1S/C12H13IN2OS/c1-2-10-12(17-15-14-10)11(16)7-8-3-5-9(13)6-4-8/h3-6,11,16H,2,7H2,1H3
InChIKeyYELFQUAXEQEZNG-UHFFFAOYSA-N
MW360.22 g/mol
LogP2.98
Rot. Bonds4

About 1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol

1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol (PubChem CID 105101035) has the molecular formula C12H13IN2OS and a molecular weight of 360.22 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol
PubChem CID105101035
Molecular FormulaC12H13IN2OS
Molecular Weight360.22 g/mol
Exact Mass359.98
IUPAC Name1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol
SMILESCCc1nnsc1C(O)Cc1ccc(I)cc1
InChIInChI=1S/C12H13IN2OS/c1-2-10-12(17-15-14-10)11(16)7-8-3-5-9(13)6-4-8/h3-6,11,16H,2,7H2,1H3
InChIKeyYELFQUAXEQEZNG-UHFFFAOYSA-N
XLogP2.98
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105076672
1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol
CID 105077964
1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078091
1-(4-ethylthiadiazol-5-yl)-2-(furan-2-yl)ethanol
CID 105122955
1-(4-ethylthiadiazol-5-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 105110978
2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105132974
1-(4-ethylthiadiazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 105117650
2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105087909
1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027994
1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine
CID 105084360
2-(5-chloro-2-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105089389
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105105690

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol (CID 105101035) is 1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol is CCc1nnsc1C(O)Cc1ccc(I)cc1.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol?
The InChIKey is YELFQUAXEQEZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2OS/c1-2-10-12(17-15-14-10)11(16)7-8-3-5-9(13)6-4-8/h3-6,11,16H,2,7H2,1H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol?
1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol has a molecular weight of 360.22 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol is sourced from PubChem (CID 105101035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).