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

C8H12N2S — CID 59945716

IUPAC3-cyclopropyl-5-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nc(C2CC2)ns1
InChIInChI=1S/C8H12N2S/c1-5(2)8-9-7(10-11-8)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyJNDMDBJIUPHDCS-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.54
Rot. Bonds2

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

3-cyclopropyl-5-propan-2-yl-1,2,4-thiadiazole (PubChem CID 59945716) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 3-cyclopropyl-5-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-propan-2-yl-1,2,4-thiadiazole
PubChem CID59945716
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name3-cyclopropyl-5-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nc(C2CC2)ns1
InChIInChI=1S/C8H12N2S/c1-5(2)8-9-7(10-11-8)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyJNDMDBJIUPHDCS-UHFFFAOYSA-N
XLogP2.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-propan-2-yl-1,2,4-thiadiazole (CID 59945716) is 3-cyclopropyl-5-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-5-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is JNDMDBJIUPHDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-5(2)8-9-7(10-11-8)6-3-4-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-propan-2-yl-1,2,4-thiadiazole?
3-cyclopropyl-5-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 168.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 59945716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).