(3-chlorothiophen-2-yl)-(thiadiazol-4-yl)methanol

C7H5ClN2OS2 — CID 107361972

IUPAC(3-chlorothiophen-2-yl)-(thiadiazol-4-yl)methanol
SMILESOC(c1csnn1)c1sccc1Cl
InChIInChI=1S/C7H5ClN2OS2/c8-4-1-2-12-7(4)6(11)5-3-13-10-9-5/h1-3,6,11H
InChIKeyBKFWFEUTUIPSJB-UHFFFAOYSA-N
MW232.72 g/mol
LogP2.33
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(thiadiazol-4-yl)methanol

(3-chlorothiophen-2-yl)-(thiadiazol-4-yl)methanol (PubChem CID 107361972) has the molecular formula C7H5ClN2OS2 and a molecular weight of 232.72 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(thiadiazol-4-yl)methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(thiadiazol-4-yl)methanol
PubChem CID107361972
Molecular FormulaC7H5ClN2OS2
Molecular Weight232.72 g/mol
Exact Mass231.95
IUPAC Name(3-chlorothiophen-2-yl)-(thiadiazol-4-yl)methanol
SMILESOC(c1csnn1)c1sccc1Cl
InChIInChI=1S/C7H5ClN2OS2/c8-4-1-2-12-7(4)6(11)5-3-13-10-9-5/h1-3,6,11H
InChIKeyBKFWFEUTUIPSJB-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

(2-Methylthiophen-3-yl)-(thiadiazol-4-yl)methanol
CID 102842253
1-(Thiadiazol-4-yl)-2-thiophen-2-ylethanol
CID 105087160
2-(5-Chlorothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105087378
2-(5-Chlorothiophen-2-yl)-1-(thiadiazol-4-yl)ethanol
CID 105087424
2-(5-Chlorothiophen-2-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105087427
2-(5-Chlorothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105087446
2-(5-Ethylthiophen-2-yl)-1-(thiadiazol-4-yl)ethanol
CID 105087683
1-(Thiadiazol-4-yl)-3-thiophen-2-ylpropan-1-ol
CID 105099342
(5-Methylthiophen-3-yl)-(thiadiazol-4-yl)methanol
CID 105103889
(5-Methylthiophen-2-yl)-(thiadiazol-4-yl)methanol
CID 105109308
(3-Methylthiophen-2-yl)-(thiadiazol-4-yl)methanol
CID 105112987
(3-Bromothiophen-2-yl)-(thiadiazol-4-yl)methanol
CID 105119369

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(thiadiazol-4-yl)methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-(thiadiazol-4-yl)methanol (CID 107361972) is (3-chlorothiophen-2-yl)-(thiadiazol-4-yl)methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(thiadiazol-4-yl)methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-(thiadiazol-4-yl)methanol is OC(c1csnn1)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(thiadiazol-4-yl)methanol?
The InChIKey is BKFWFEUTUIPSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2OS2/c8-4-1-2-12-7(4)6(11)5-3-13-10-9-5/h1-3,6,11H.
What are the key properties of (3-chlorothiophen-2-yl)-(thiadiazol-4-yl)methanol?
(3-chlorothiophen-2-yl)-(thiadiazol-4-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 (3-chlorothiophen-2-yl)-(thiadiazol-4-yl)methanol is sourced from PubChem (CID 107361972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).