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

C9H10N2OS2 — CID 130815166

IUPAC1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylpropan-2-ol
SMILESCC(O)(Cc1cnsn1)c1ccsc1
InChIInChI=1S/C9H10N2OS2/c1-9(12,7-2-3-13-6-7)4-8-5-10-14-11-8/h2-3,5-6,12H,4H2,1H3
InChIKeyMGVJFXISECMYSK-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.05
Rot. Bonds3

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

1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylpropan-2-ol (PubChem CID 130815166) 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)-2-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylpropan-2-ol
PubChem CID130815166
Molecular FormulaC9H10N2OS2
Molecular Weight226.33 g/mol
Exact Mass226.02
IUPAC Name1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylpropan-2-ol
SMILESCC(O)(Cc1cnsn1)c1ccsc1
InChIInChI=1S/C9H10N2OS2/c1-9(12,7-2-3-13-6-7)4-8-5-10-14-11-8/h2-3,5-6,12H,4H2,1H3
InChIKeyMGVJFXISECMYSK-UHFFFAOYSA-N
XLogP2.05
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
1,2,5-Thiadiazol-3-yl(thiophen-3-yl)methanol
CID 121600318
1-(5-Iodothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol
CID 130815157
1-(3-Methylthiophen-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol
CID 130815295
1-(5-Methylthiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol
CID 130815296
2-(1,2,5-Thiadiazol-3-yl)-1-thiophen-2-ylethanol
CID 130899391
2-(1,2,5-Thiadiazol-3-yl)-1-thiophen-3-ylethanol
CID 130900571
1-(1,2-Thiazol-5-yl)-1-thiophen-3-ylethanol
CID 130942822

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylpropan-2-ol (CID 130815166) is 1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylpropan-2-ol is CC(O)(Cc1cnsn1)c1ccsc1.
What is the InChIKey of 1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylpropan-2-ol?
The InChIKey is MGVJFXISECMYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS2/c1-9(12,7-2-3-13-6-7)4-8-5-10-14-11-8/h2-3,5-6,12H,4H2,1H3.
What are the key properties of 1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylpropan-2-ol?
1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylpropan-2-ol has a molecular weight of 226.33 g/mol, XLogP of 2.05, 3 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)-2-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 130815166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).