3-ethyl-5-propan-2-yl-1,2,4-thiadiazole

C7H12N2S — CID 59718750

IUPAC3-ethyl-5-propan-2-yl-1,2,4-thiadiazole
SMILESCCc1nsc(C(C)C)n1
InChIInChI=1S/C7H12N2S/c1-4-6-8-7(5(2)3)10-9-6/h5H,4H2,1-3H3
InChIKeyKEBXNUYKOLXOMR-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.22
Rot. Bonds2

About 3-ethyl-5-propan-2-yl-1,2,4-thiadiazole

3-ethyl-5-propan-2-yl-1,2,4-thiadiazole (PubChem CID 59718750) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 3-ethyl-5-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-propan-2-yl-1,2,4-thiadiazole
PubChem CID59718750
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name3-ethyl-5-propan-2-yl-1,2,4-thiadiazole
SMILESCCc1nsc(C(C)C)n1
InChIInChI=1S/C7H12N2S/c1-4-6-8-7(5(2)3)10-9-6/h5H,4H2,1-3H3
InChIKeyKEBXNUYKOLXOMR-UHFFFAOYSA-N
XLogP2.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-propan-2-yl-1,2,4-thiadiazole (CID 59718750) is 3-ethyl-5-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-propan-2-yl-1,2,4-thiadiazole is CCc1nsc(C(C)C)n1.
What is the InChIKey of 3-ethyl-5-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is KEBXNUYKOLXOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-4-6-8-7(5(2)3)10-9-6/h5H,4H2,1-3H3.
What are the key properties of 3-ethyl-5-propan-2-yl-1,2,4-thiadiazole?
3-ethyl-5-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 156.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 59718750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).