(2-chlorothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol

C7H5ClN2OS2 — CID 130697868

IUPAC(2-chlorothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
SMILESOC(c1cnsn1)c1ccsc1Cl
InChIInChI=1S/C7H5ClN2OS2/c8-7-4(1-2-12-7)6(11)5-3-9-13-10-5/h1-3,6,11H
InChIKeyFVSOOTHSHHQCKU-UHFFFAOYSA-N
MW232.72 g/mol
LogP2.33
Rot. Bonds2

About (2-chlorothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol

(2-chlorothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol (PubChem CID 130697868) has the molecular formula C7H5ClN2OS2 and a molecular weight of 232.72 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
PubChem CID130697868
Molecular FormulaC7H5ClN2OS2
Molecular Weight232.72 g/mol
Exact Mass231.95
IUPAC Name(2-chlorothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
SMILESOC(c1cnsn1)c1ccsc1Cl
InChIInChI=1S/C7H5ClN2OS2/c8-7-4(1-2-12-7)6(11)5-3-9-13-10-5/h1-3,6,11H
InChIKeyFVSOOTHSHHQCKU-UHFFFAOYSA-N
XLogP2.33
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.72
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

thiophen-3-yl(2H-triazol-4-yl)methanol
CID 80494810
(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
(4-Bromothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105113100
(5-Chlorothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105119665
(3-Chlorothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 107361944
1,2,5-Thiadiazol-3-yl(thiophen-2-yl)methanol
CID 121600259
1,2,5-Thiadiazol-3-yl(thiophen-3-yl)methanol
CID 121600318
(2-Chlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
CID 130646328

Frequently Asked Questions

What is the IUPAC name of (2-chlorothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol?
The IUPAC name of (2-chlorothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol (CID 130697868) is (2-chlorothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol.
What is the SMILES notation for (2-chlorothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol?
The canonical SMILES for (2-chlorothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol is OC(c1cnsn1)c1ccsc1Cl.
What is the InChIKey of (2-chlorothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol?
The InChIKey is FVSOOTHSHHQCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2OS2/c8-7-4(1-2-12-7)6(11)5-3-9-13-10-5/h1-3,6,11H.
What are the key properties of (2-chlorothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol?
(2-chlorothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol has a molecular weight of 232.72 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol is sourced from PubChem (CID 130697868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).