3-chloro-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole

C9H13ClN2OS — CID 102944002

IUPAC3-chloro-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole
SMILESCC1OC(C)C(c2nc(Cl)ns2)C1C
InChIInChI=1S/C9H13ClN2OS/c1-4-5(2)13-6(3)7(4)8-11-9(10)12-14-8/h4-7H,1-3H3
InChIKeyQQHDBRSXMIUPEM-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.72
Rot. Bonds1

About 3-chloro-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole

3-chloro-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole (PubChem CID 102944002) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 3-chloro-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole
PubChem CID102944002
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name3-chloro-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole
SMILESCC1OC(C)C(c2nc(Cl)ns2)C1C
InChIInChI=1S/C9H13ClN2OS/c1-4-5(2)13-6(3)7(4)8-11-9(10)12-14-8/h4-7H,1-3H3
InChIKeyQQHDBRSXMIUPEM-UHFFFAOYSA-N
XLogP2.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4,5-Trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine
CID 65159399
5-(2-Methyloxolan-3-yl)-1,2,4-thiadiazol-3-amine
CID 79763828
3-Bromo-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943340
3-Bromo-5-(2-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943358
3-Bromo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943407
3-Iodo-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943671
3-Iodo-5-(2-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943691
3-Iodo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943741
3-Chloro-5-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazole
CID 102943867
3-Chloro-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole
CID 102944020
3-Chloro-5-(2-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102944022
3-Chloro-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102944071

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole (CID 102944002) is 3-chloro-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole is CC1OC(C)C(c2nc(Cl)ns2)C1C.
What is the InChIKey of 3-chloro-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole?
The InChIKey is QQHDBRSXMIUPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-4-5(2)13-6(3)7(4)8-11-9(10)12-14-8/h4-7H,1-3H3.
What are the key properties of 3-chloro-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole?
3-chloro-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole has a molecular weight of 232.74 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102944002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).