4-cyclopropylthiadiazole

C5H6N2S — CID 57002534

IUPAC4-cyclopropylthiadiazole
SMILESc1snnc1C1CC1
InChIInChI=1S/C5H6N2S/c1-2-4(1)5-3-8-7-6-5/h3-4H,1-2H2
InChIKeyCRKGWYMEYKKRIV-UHFFFAOYSA-N
MW126.18 g/mol
LogP1.42
Rot. Bonds1

About 4-cyclopropylthiadiazole

4-cyclopropylthiadiazole (PubChem CID 57002534) has the molecular formula C5H6N2S and a molecular weight of 126.18 g/mol. Its IUPAC name is 4-cyclopropylthiadiazole.

Molecular Properties

Compound Name4-cyclopropylthiadiazole
PubChem CID57002534
Molecular FormulaC5H6N2S
Molecular Weight126.18 g/mol
Exact Mass126.03
IUPAC Name4-cyclopropylthiadiazole
SMILESc1snnc1C1CC1
InChIInChI=1S/C5H6N2S/c1-2-4(1)5-3-8-7-6-5/h3-4H,1-2H2
InChIKeyCRKGWYMEYKKRIV-UHFFFAOYSA-N
XLogP1.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylthiadiazole?
The IUPAC name of 4-cyclopropylthiadiazole (CID 57002534) is 4-cyclopropylthiadiazole.
What is the SMILES notation for 4-cyclopropylthiadiazole?
The canonical SMILES for 4-cyclopropylthiadiazole is c1snnc1C1CC1.
What is the InChIKey of 4-cyclopropylthiadiazole?
The InChIKey is CRKGWYMEYKKRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S/c1-2-4(1)5-3-8-7-6-5/h3-4H,1-2H2.
What are the key properties of 4-cyclopropylthiadiazole?
4-cyclopropylthiadiazole has a molecular weight of 126.18 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylthiadiazole is sourced from PubChem (CID 57002534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).