2-propyl-1,3,4-thiadiazole

C5H8N2S — CID 18967869

IUPAC2-propyl-1,3,4-thiadiazole
SMILESCCCc1nncs1
InChIInChI=1S/C5H8N2S/c1-2-3-5-7-6-4-8-5/h4H,2-3H2,1H3
InChIKeySZEBLVUCTKIROB-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.49
Rot. Bonds2

About 2-propyl-1,3,4-thiadiazole

2-propyl-1,3,4-thiadiazole (PubChem CID 18967869) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 2-propyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-propyl-1,3,4-thiadiazole
PubChem CID18967869
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name2-propyl-1,3,4-thiadiazole
SMILESCCCc1nncs1
InChIInChI=1S/C5H8N2S/c1-2-3-5-7-6-4-8-5/h4H,2-3H2,1H3
InChIKeySZEBLVUCTKIROB-UHFFFAOYSA-N
XLogP1.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,3,4-thiadiazole?
The IUPAC name of 2-propyl-1,3,4-thiadiazole (CID 18967869) is 2-propyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-propyl-1,3,4-thiadiazole?
The canonical SMILES for 2-propyl-1,3,4-thiadiazole is CCCc1nncs1.
What is the InChIKey of 2-propyl-1,3,4-thiadiazole?
The InChIKey is SZEBLVUCTKIROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-2-3-5-7-6-4-8-5/h4H,2-3H2,1H3.
What are the key properties of 2-propyl-1,3,4-thiadiazole?
2-propyl-1,3,4-thiadiazole has a molecular weight of 128.20 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,3,4-thiadiazole is sourced from PubChem (CID 18967869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).