4-ethyl-5-propan-2-ylthiadiazole

C7H12N2S — CID 126704775

IUPAC4-ethyl-5-propan-2-ylthiadiazole
SMILESCCc1nnsc1C(C)C
InChIInChI=1S/C7H12N2S/c1-4-6-7(5(2)3)10-9-8-6/h5H,4H2,1-3H3
InChIKeyQZPATGZJZBOMAK-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.22
Rot. Bonds2

About 4-ethyl-5-propan-2-ylthiadiazole

4-ethyl-5-propan-2-ylthiadiazole (PubChem CID 126704775) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 4-ethyl-5-propan-2-ylthiadiazole.

Molecular Properties

Compound Name4-ethyl-5-propan-2-ylthiadiazole
PubChem CID126704775
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name4-ethyl-5-propan-2-ylthiadiazole
SMILESCCc1nnsc1C(C)C
InChIInChI=1S/C7H12N2S/c1-4-6-7(5(2)3)10-9-8-6/h5H,4H2,1-3H3
InChIKeyQZPATGZJZBOMAK-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 4-ethyl-5-propan-2-ylthiadiazole?
The IUPAC name of 4-ethyl-5-propan-2-ylthiadiazole (CID 126704775) is 4-ethyl-5-propan-2-ylthiadiazole.
What is the SMILES notation for 4-ethyl-5-propan-2-ylthiadiazole?
The canonical SMILES for 4-ethyl-5-propan-2-ylthiadiazole is CCc1nnsc1C(C)C.
What is the InChIKey of 4-ethyl-5-propan-2-ylthiadiazole?
The InChIKey is QZPATGZJZBOMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-4-6-7(5(2)3)10-9-8-6/h5H,4H2,1-3H3.
What are the key properties of 4-ethyl-5-propan-2-ylthiadiazole?
4-ethyl-5-propan-2-ylthiadiazole 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 4-ethyl-5-propan-2-ylthiadiazole is sourced from PubChem (CID 126704775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).