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

C6H9ClN2OS — CID 79194891

IUPAC5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
SMILESCOC(C)(C)c1nsc(Cl)n1
InChIInChI=1S/C6H9ClN2OS/c1-6(2,10-3)4-8-5(7)11-9-4/h1-3H3
InChIKeyIMDSTMKBEFZQGL-UHFFFAOYSA-N
MW192.67 g/mol
LogP2.07
Rot. Bonds2

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

5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole (PubChem CID 79194891) has the molecular formula C6H9ClN2OS and a molecular weight of 192.67 g/mol. Its IUPAC name is 5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
PubChem CID79194891
Molecular FormulaC6H9ClN2OS
Molecular Weight192.67 g/mol
Exact Mass192.01
IUPAC Name5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
SMILESCOC(C)(C)c1nsc(Cl)n1
InChIInChI=1S/C6H9ClN2OS/c1-6(2,10-3)4-8-5(7)11-9-4/h1-3H3
InChIKeyIMDSTMKBEFZQGL-UHFFFAOYSA-N
XLogP2.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.67
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole (CID 79194891) is 5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole is COC(C)(C)c1nsc(Cl)n1.
What is the InChIKey of 5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole?
The InChIKey is IMDSTMKBEFZQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2OS/c1-6(2,10-3)4-8-5(7)11-9-4/h1-3H3.
What are the key properties of 5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole?
5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole has a molecular weight of 192.67 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 79194891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).