1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]ethanol

C10H9ClN2OS — CID 70981763

IUPAC1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]ethanol
SMILESCC(O)c1nc(-c2ccc(Cl)cc2)ns1
InChIInChI=1S/C10H9ClN2OS/c1-6(14)10-12-9(13-15-10)7-2-4-8(11)5-3-7/h2-6,14H,1H3
InChIKeyJJQWCPYHAMHPNT-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.91
Rot. Bonds2

About 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]ethanol

1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]ethanol (PubChem CID 70981763) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]ethanol
PubChem CID70981763
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]ethanol
SMILESCC(O)c1nc(-c2ccc(Cl)cc2)ns1
InChIInChI=1S/C10H9ClN2OS/c1-6(14)10-12-9(13-15-10)7-2-4-8(11)5-3-7/h2-6,14H,1H3
InChIKeyJJQWCPYHAMHPNT-UHFFFAOYSA-N
XLogP2.91
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]ethanol?
The IUPAC name of 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]ethanol (CID 70981763) is 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]ethanol is CC(O)c1nc(-c2ccc(Cl)cc2)ns1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]ethanol?
The InChIKey is JJQWCPYHAMHPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-6(14)10-12-9(13-15-10)7-2-4-8(11)5-3-7/h2-6,14H,1H3.
What are the key properties of 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]ethanol?
1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]ethanol has a molecular weight of 240.72 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]ethanol is sourced from PubChem (CID 70981763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).