3-chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole

C6H9ClN2OS — CID 102943908

IUPAC3-chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole
SMILESCC(C)OCc1nc(Cl)ns1
InChIInChI=1S/C6H9ClN2OS/c1-4(2)10-3-5-8-6(7)9-11-5/h4H,3H2,1-2H3
InChIKeyZEGTZRJIFKDPJV-UHFFFAOYSA-N
MW192.67 g/mol
LogP2.12
Rot. Bonds3

About 3-chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole

3-chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole (PubChem CID 102943908) has the molecular formula C6H9ClN2OS and a molecular weight of 192.67 g/mol. Its IUPAC name is 3-chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole
PubChem CID102943908
Molecular FormulaC6H9ClN2OS
Molecular Weight192.67 g/mol
Exact Mass192.01
IUPAC Name3-chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole
SMILESCC(C)OCc1nc(Cl)ns1
InChIInChI=1S/C6H9ClN2OS/c1-4(2)10-3-5-8-6(7)9-11-5/h4H,3H2,1-2H3
InChIKeyZEGTZRJIFKDPJV-UHFFFAOYSA-N
XLogP2.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.67
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole
CID 102943243
3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine
CID 83874182
5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
CID 80607952
2-chloro-3-(propan-2-yloxymethyl)thiophene
CID 171518030
1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 112605768
1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
3-chloro-N-pentan-3-yl-1,2,4-thiadiazol-5-amine
CID 130709058
5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607854
2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine
CID 62859308
1-[5-(methoxymethyl)-1,2,4-thiadiazol-3-yl]propan-1-amine
CID 82405299
8-chloro-5,6-dimethyl-3-(propan-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 112602975
4-(propan-2-yloxymethyl)pyridine
CID 14442204

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole (CID 102943908) is 3-chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole is CC(C)OCc1nc(Cl)ns1.
What is the InChIKey of 3-chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole?
The InChIKey is ZEGTZRJIFKDPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2OS/c1-4(2)10-3-5-8-6(7)9-11-5/h4H,3H2,1-2H3.
What are the key properties of 3-chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole?
3-chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole has a molecular weight of 192.67 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).