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

C9H10N2OS2 — CID 105099263

IUPAC1-(1,2,5-thiadiazol-3-yl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)c1cnsn1
InChIInChI=1S/C9H10N2OS2/c12-9(8-6-10-14-11-8)4-3-7-2-1-5-13-7/h1-2,5-6,9,12H,3-4H2
InChIKeyNTINHXBMJANWGS-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.27
Rot. Bonds4

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

1-(1,2,5-thiadiazol-3-yl)-3-thiophen-2-ylpropan-1-ol (PubChem CID 105099263) 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-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(1,2,5-thiadiazol-3-yl)-3-thiophen-2-ylpropan-1-ol
PubChem CID105099263
Molecular FormulaC9H10N2OS2
Molecular Weight226.33 g/mol
Exact Mass226.02
IUPAC Name1-(1,2,5-thiadiazol-3-yl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)c1cnsn1
InChIInChI=1S/C9H10N2OS2/c12-9(8-6-10-14-11-8)4-3-7-2-1-5-13-7/h1-2,5-6,9,12H,3-4H2
InChIKeyNTINHXBMJANWGS-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

(5-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494698
2-(3-bromothiophen-2-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494726
2-thiophen-2-yl-1-(2H-triazol-4-yl)ethanol
CID 80494847
thiophen-2-yl(2H-triazol-4-yl)methanol
CID 80494902
2-(5-ethylthiophen-2-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494933
3-thiophen-2-yl-1-(2H-triazol-4-yl)propan-1-ol
CID 80494972
(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-Bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105087218
2-(5-Chlorothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105087372
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

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,5-thiadiazol-3-yl)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-(1,2,5-thiadiazol-3-yl)-3-thiophen-2-ylpropan-1-ol (CID 105099263) is 1-(1,2,5-thiadiazol-3-yl)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-(1,2,5-thiadiazol-3-yl)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-(1,2,5-thiadiazol-3-yl)-3-thiophen-2-ylpropan-1-ol is OC(CCc1cccs1)c1cnsn1.
What is the InChIKey of 1-(1,2,5-thiadiazol-3-yl)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is NTINHXBMJANWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS2/c12-9(8-6-10-14-11-8)4-3-7-2-1-5-13-7/h1-2,5-6,9,12H,3-4H2.
What are the key properties of 1-(1,2,5-thiadiazol-3-yl)-3-thiophen-2-ylpropan-1-ol?
1-(1,2,5-thiadiazol-3-yl)-3-thiophen-2-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-2-ylpropan-1-ol is sourced from PubChem (CID 105099263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).