1-(1,2,5-thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol

C9H10N2OS2 — CID 105097814

IUPAC1-(1,2,5-thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)c1cnsn1
InChIInChI=1S/C9H10N2OS2/c12-9(8-5-10-14-11-8)2-1-7-3-4-13-6-7/h3-6,9,12H,1-2H2
InChIKeyWIRHZOWJMSDYFJ-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.27
Rot. Bonds4

About 1-(1,2,5-thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol

1-(1,2,5-thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 105097814) has the molecular formula C9H10N2OS2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 1-(1,2,5-thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(1,2,5-thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol
PubChem CID105097814
Molecular FormulaC9H10N2OS2
Molecular Weight226.33 g/mol
Exact Mass226.02
IUPAC Name1-(1,2,5-thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)c1cnsn1
InChIInChI=1S/C9H10N2OS2/c12-9(8-5-10-14-11-8)2-1-7-3-4-13-6-7/h3-6,9,12H,1-2H2
InChIKeyWIRHZOWJMSDYFJ-UHFFFAOYSA-N
XLogP2.27
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-thiophen-3-yl-1-(2H-triazol-4-yl)ethanol
CID 80494782
3-thiophen-3-yl-1-(2H-triazol-4-yl)propan-1-ol
CID 80494843
(2-Methylthiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 102842321
1-(1,2,5-Thiadiazol-3-yl)-2-thiophen-2-ylethanol
CID 105087126
2-(5-Ethylthiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105087594
1-(1,2,5-Thiadiazol-3-yl)-2-thiophen-3-ylethanol
CID 105089455
1-(1,2,5-Thiadiazol-3-yl)-3-thiophen-2-ylpropan-1-ol
CID 105099263
(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
2-(1-Benzothiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 113678515
1,2,5-Thiadiazol-3-yl(thiophen-3-yl)methanol
CID 121600318
1-(2-Methyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 130521690

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,5-thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(1,2,5-thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol (CID 105097814) is 1-(1,2,5-thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(1,2,5-thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(1,2,5-thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol is OC(CCc1ccsc1)c1cnsn1.
What is the InChIKey of 1-(1,2,5-thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is WIRHZOWJMSDYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS2/c12-9(8-5-10-14-11-8)2-1-7-3-4-13-6-7/h3-6,9,12H,1-2H2.
What are the key properties of 1-(1,2,5-thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol?
1-(1,2,5-thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 226.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,5-thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 105097814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).