5-N-cyclopropyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine

C8H14N4S — CID 66279018

IUPAC5-N-cyclopropyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine
SMILESCCCN(c1nc(N)ns1)C1CC1
InChIInChI=1S/C8H14N4S/c1-2-5-12(6-3-4-6)8-10-7(9)11-13-8/h6H,2-5H2,1H3,(H2,9,11)
InChIKeyIDUUBWUFSUCAPZ-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.50
Rot. Bonds4

About 5-N-cyclopropyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine

5-N-cyclopropyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66279018) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 5-N-cyclopropyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine
PubChem CID66279018
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name5-N-cyclopropyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine
SMILESCCCN(c1nc(N)ns1)C1CC1
InChIInChI=1S/C8H14N4S/c1-2-5-12(6-3-4-6)8-10-7(9)11-13-8/h6H,2-5H2,1H3,(H2,9,11)
InChIKeyIDUUBWUFSUCAPZ-UHFFFAOYSA-N
XLogP1.50
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-cyclopropyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine (CID 66279018) is 5-N-cyclopropyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-cyclopropyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-cyclopropyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine is CCCN(c1nc(N)ns1)C1CC1.
What is the InChIKey of 5-N-cyclopropyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is IDUUBWUFSUCAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-2-5-12(6-3-4-6)8-10-7(9)11-13-8/h6H,2-5H2,1H3,(H2,9,11).
What are the key properties of 5-N-cyclopropyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine?
5-N-cyclopropyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 198.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66279018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).