2-cyclopropyl-5-methyl-1,3,4-thiadiazole

C6H8N2S — CID 22946443

IUPAC2-cyclopropyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(C2CC2)s1
InChIInChI=1S/C6H8N2S/c1-4-7-8-6(9-4)5-2-3-5/h5H,2-3H2,1H3
InChIKeyVLWIWIVUSSYIIB-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.72
Rot. Bonds1

About 2-cyclopropyl-5-methyl-1,3,4-thiadiazole

2-cyclopropyl-5-methyl-1,3,4-thiadiazole (PubChem CID 22946443) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-1,3,4-thiadiazole
PubChem CID22946443
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name2-cyclopropyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(C2CC2)s1
InChIInChI=1S/C6H8N2S/c1-4-7-8-6(9-4)5-2-3-5/h5H,2-3H2,1H3
InChIKeyVLWIWIVUSSYIIB-UHFFFAOYSA-N
XLogP1.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-methyl-1,3,4-thiadiazole (CID 22946443) is 2-cyclopropyl-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-methyl-1,3,4-thiadiazole is Cc1nnc(C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-5-methyl-1,3,4-thiadiazole?
The InChIKey is VLWIWIVUSSYIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-4-7-8-6(9-4)5-2-3-5/h5H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-5-methyl-1,3,4-thiadiazole?
2-cyclopropyl-5-methyl-1,3,4-thiadiazole has a molecular weight of 140.21 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 22946443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).