1-(thiadiazol-4-yl)-3-thiophen-2-ylpropan-1-ol

C9H10N2OS2 — CID 105099342

IUPAC1-(thiadiazol-4-yl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)c1csnn1
InChIInChI=1S/C9H10N2OS2/c12-9(8-6-14-11-10-8)4-3-7-2-1-5-13-7/h1-2,5-6,9,12H,3-4H2
InChIKeyKBXMHWMLFBQHBF-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.27
Rot. Bonds4

About 1-(thiadiazol-4-yl)-3-thiophen-2-ylpropan-1-ol

1-(thiadiazol-4-yl)-3-thiophen-2-ylpropan-1-ol (PubChem CID 105099342) has the molecular formula C9H10N2OS2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 1-(thiadiazol-4-yl)-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(thiadiazol-4-yl)-3-thiophen-2-ylpropan-1-ol
PubChem CID105099342
Molecular FormulaC9H10N2OS2
Molecular Weight226.33 g/mol
Exact Mass226.02
IUPAC Name1-(thiadiazol-4-yl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)c1csnn1
InChIInChI=1S/C9H10N2OS2/c12-9(8-6-14-11-10-8)4-3-7-2-1-5-13-7/h1-2,5-6,9,12H,3-4H2
InChIKeyKBXMHWMLFBQHBF-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-Methylthiophen-3-yl)-(thiadiazol-4-yl)methanol
CID 102842253
(4-Methylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079900
(4-Ethylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079958
(4-Propylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079979
1-(4-Methylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087134
1-(Thiadiazol-4-yl)-2-thiophen-2-ylethanol
CID 105087160
1-(4-Propan-2-ylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087162
1-(4-Ethylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087163
1-(4-Propylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087181
2-(5-Bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanol
CID 105087289
2-(5-Chlorothiophen-2-yl)-1-(thiadiazol-4-yl)ethanol
CID 105087424
2-(5-Ethylthiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105087611

Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazol-4-yl)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-(thiadiazol-4-yl)-3-thiophen-2-ylpropan-1-ol (CID 105099342) is 1-(thiadiazol-4-yl)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-(thiadiazol-4-yl)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-(thiadiazol-4-yl)-3-thiophen-2-ylpropan-1-ol is OC(CCc1cccs1)c1csnn1.
What is the InChIKey of 1-(thiadiazol-4-yl)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is KBXMHWMLFBQHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS2/c12-9(8-6-14-11-10-8)4-3-7-2-1-5-13-7/h1-2,5-6,9,12H,3-4H2.
What are the key properties of 1-(thiadiazol-4-yl)-3-thiophen-2-ylpropan-1-ol?
1-(thiadiazol-4-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-(thiadiazol-4-yl)-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 105099342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).