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

C12H18N4S — CID 71925333

IUPAC3-cyclopropyl-5-(4-cyclopropylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESC1CC1c1nsc(N2CCN(C3CC3)CC2)n1
InChIInChI=1S/C12H18N4S/c1-2-9(1)11-13-12(17-14-11)16-7-5-15(6-8-16)10-3-4-10/h9-10H,1-8H2
InChIKeyIVEFCHXKELJSCC-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.70
Rot. Bonds3

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

3-cyclopropyl-5-(4-cyclopropylpiperazin-1-yl)-1,2,4-thiadiazole (PubChem CID 71925333) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-cyclopropyl-5-(4-cyclopropylpiperazin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(4-cyclopropylpiperazin-1-yl)-1,2,4-thiadiazole
PubChem CID71925333
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name3-cyclopropyl-5-(4-cyclopropylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESC1CC1c1nsc(N2CCN(C3CC3)CC2)n1
InChIInChI=1S/C12H18N4S/c1-2-9(1)11-13-12(17-14-11)16-7-5-15(6-8-16)10-3-4-10/h9-10H,1-8H2
InChIKeyIVEFCHXKELJSCC-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(4-cyclopropylpiperazin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-(4-cyclopropylpiperazin-1-yl)-1,2,4-thiadiazole (CID 71925333) is 3-cyclopropyl-5-(4-cyclopropylpiperazin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(4-cyclopropylpiperazin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-(4-cyclopropylpiperazin-1-yl)-1,2,4-thiadiazole is C1CC1c1nsc(N2CCN(C3CC3)CC2)n1.
What is the InChIKey of 3-cyclopropyl-5-(4-cyclopropylpiperazin-1-yl)-1,2,4-thiadiazole?
The InChIKey is IVEFCHXKELJSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-2-9(1)11-13-12(17-14-11)16-7-5-15(6-8-16)10-3-4-10/h9-10H,1-8H2.
What are the key properties of 3-cyclopropyl-5-(4-cyclopropylpiperazin-1-yl)-1,2,4-thiadiazole?
3-cyclopropyl-5-(4-cyclopropylpiperazin-1-yl)-1,2,4-thiadiazole has a molecular weight of 250.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(4-cyclopropylpiperazin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 71925333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).