3-cyclopropyl-5-(2-ethylimidazol-1-yl)-1,2,4-thiadiazole

C10H12N4S — CID 65277600

IUPAC3-cyclopropyl-5-(2-ethylimidazol-1-yl)-1,2,4-thiadiazole
SMILESCCc1nccn1-c1nc(C2CC2)ns1
InChIInChI=1S/C10H12N4S/c1-2-8-11-5-6-14(8)10-12-9(13-15-10)7-3-4-7/h5-7H,2-4H2,1H3
InChIKeyXYXLXQLLRJQOTQ-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.16
Rot. Bonds3

About 3-cyclopropyl-5-(2-ethylimidazol-1-yl)-1,2,4-thiadiazole

3-cyclopropyl-5-(2-ethylimidazol-1-yl)-1,2,4-thiadiazole (PubChem CID 65277600) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2-ethylimidazol-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(2-ethylimidazol-1-yl)-1,2,4-thiadiazole
PubChem CID65277600
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name3-cyclopropyl-5-(2-ethylimidazol-1-yl)-1,2,4-thiadiazole
SMILESCCc1nccn1-c1nc(C2CC2)ns1
InChIInChI=1S/C10H12N4S/c1-2-8-11-5-6-14(8)10-12-9(13-15-10)7-3-4-7/h5-7H,2-4H2,1H3
InChIKeyXYXLXQLLRJQOTQ-UHFFFAOYSA-N
XLogP2.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(2-ethylimidazol-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-(2-ethylimidazol-1-yl)-1,2,4-thiadiazole (CID 65277600) is 3-cyclopropyl-5-(2-ethylimidazol-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(2-ethylimidazol-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-(2-ethylimidazol-1-yl)-1,2,4-thiadiazole is CCc1nccn1-c1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-5-(2-ethylimidazol-1-yl)-1,2,4-thiadiazole?
The InChIKey is XYXLXQLLRJQOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-2-8-11-5-6-14(8)10-12-9(13-15-10)7-3-4-7/h5-7H,2-4H2,1H3.
What are the key properties of 3-cyclopropyl-5-(2-ethylimidazol-1-yl)-1,2,4-thiadiazole?
3-cyclopropyl-5-(2-ethylimidazol-1-yl)-1,2,4-thiadiazole has a molecular weight of 220.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2-ethylimidazol-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 65277600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).