1-(5-iodothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol

C8H7IN2OS2 — CID 130815157

IUPAC1-(5-iodothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol
SMILESOC(Cc1cnsn1)c1csc(I)c1
InChIInChI=1S/C8H7IN2OS2/c9-8-1-5(4-13-8)7(12)2-6-3-10-14-11-6/h1,3-4,7,12H,2H2
InChIKeySXRJBXUUTHUZJM-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.48
Rot. Bonds3

About 1-(5-iodothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol

1-(5-iodothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol (PubChem CID 130815157) has the molecular formula C8H7IN2OS2 and a molecular weight of 338.20 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol
PubChem CID130815157
Molecular FormulaC8H7IN2OS2
Molecular Weight338.20 g/mol
Exact Mass337.90
IUPAC Name1-(5-iodothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol
SMILESOC(Cc1cnsn1)c1csc(I)c1
InChIInChI=1S/C8H7IN2OS2/c9-8-1-5(4-13-8)7(12)2-6-3-10-14-11-6/h1,3-4,7,12H,2H2
InChIKeySXRJBXUUTHUZJM-UHFFFAOYSA-N
XLogP2.48
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-thiophen-3-yl-1-(2H-triazol-4-yl)ethanol
CID 80494782
thiophen-3-yl(2H-triazol-4-yl)methanol
CID 80494810
(2-Methylthiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 102842321
1-(1,2,5-Thiadiazol-3-yl)-2-thiophen-3-ylethanol
CID 105089455
1-(1,2,5-Thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097814
(5-Methylthiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105103809
(3-Methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105112915
1-(5-Iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065610
1,2,5-Thiadiazol-3-yl(thiophen-3-yl)methanol
CID 121600318
1-(2-Methyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 130521690
(5-Iodothiophen-3-yl)-(2-methyltriazol-4-yl)methanol
CID 130603725
2-(5-Chlorothiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 130671723

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol?
The IUPAC name of 1-(5-iodothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol (CID 130815157) is 1-(5-iodothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol?
The canonical SMILES for 1-(5-iodothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol is OC(Cc1cnsn1)c1csc(I)c1.
What is the InChIKey of 1-(5-iodothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol?
The InChIKey is SXRJBXUUTHUZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2OS2/c9-8-1-5(4-13-8)7(12)2-6-3-10-14-11-6/h1,3-4,7,12H,2H2.
What are the key properties of 1-(5-iodothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol?
1-(5-iodothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol has a molecular weight of 338.20 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol is sourced from PubChem (CID 130815157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).