thiadiazol-5-yl(thiophen-3-yl)methanol

C7H6N2OS2 — CID 105102732

IUPACthiadiazol-5-yl(thiophen-3-yl)methanol
SMILESOC(c1ccsc1)c1cnns1
InChIInChI=1S/C7H6N2OS2/c10-7(5-1-2-11-4-5)6-3-8-9-12-6/h1-4,7,10H
InChIKeyATHFGARMBZKKEB-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.68
Rot. Bonds2

About thiadiazol-5-yl(thiophen-3-yl)methanol

thiadiazol-5-yl(thiophen-3-yl)methanol (PubChem CID 105102732) has the molecular formula C7H6N2OS2 and a molecular weight of 198.27 g/mol. Its IUPAC name is thiadiazol-5-yl(thiophen-3-yl)methanol.

Molecular Properties

Compound Namethiadiazol-5-yl(thiophen-3-yl)methanol
PubChem CID105102732
Molecular FormulaC7H6N2OS2
Molecular Weight198.27 g/mol
Exact Mass197.99
IUPAC Namethiadiazol-5-yl(thiophen-3-yl)methanol
SMILESOC(c1ccsc1)c1cnns1
InChIInChI=1S/C7H6N2OS2/c10-7(5-1-2-11-4-5)6-3-8-9-12-6/h1-4,7,10H
InChIKeyATHFGARMBZKKEB-UHFFFAOYSA-N
XLogP1.68
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Methylthiophen-3-yl)-(thiadiazol-5-yl)methanol
CID 102842463
Thiadiazol-5-yl(thiophen-2-yl)methanol
CID 105079974
1-(Thiadiazol-5-yl)-2-thiophen-3-ylethanol
CID 105089517
1-(Thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097893
(4-Methylthiadiazol-5-yl)-thiophen-3-ylmethanol
CID 105102691
(5-Methylthiophen-3-yl)-(thiadiazol-5-yl)methanol
CID 105103914
(3-Methylthiophen-2-yl)-(thiadiazol-5-yl)methanol
CID 105113018
(4-Bromothiophen-3-yl)-(thiadiazol-5-yl)methanol
CID 105113209
(3-Bromothiophen-2-yl)-(thiadiazol-5-yl)methanol
CID 105119399
2-(5-Methylthiophen-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 130558670
(2-Chlorothiophen-3-yl)-(thiadiazol-5-yl)methanol
CID 130744369
2-(5-Chlorothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 131071043

Frequently Asked Questions

What is the IUPAC name of thiadiazol-5-yl(thiophen-3-yl)methanol?
The IUPAC name of thiadiazol-5-yl(thiophen-3-yl)methanol (CID 105102732) is thiadiazol-5-yl(thiophen-3-yl)methanol.
What is the SMILES notation for thiadiazol-5-yl(thiophen-3-yl)methanol?
The canonical SMILES for thiadiazol-5-yl(thiophen-3-yl)methanol is OC(c1ccsc1)c1cnns1.
What is the InChIKey of thiadiazol-5-yl(thiophen-3-yl)methanol?
The InChIKey is ATHFGARMBZKKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS2/c10-7(5-1-2-11-4-5)6-3-8-9-12-6/h1-4,7,10H.
What are the key properties of thiadiazol-5-yl(thiophen-3-yl)methanol?
thiadiazol-5-yl(thiophen-3-yl)methanol has a molecular weight of 198.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazol-5-yl(thiophen-3-yl)methanol is sourced from PubChem (CID 105102732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).