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

C7H12N4S — CID 66279016

IUPAC5-N-cyclopropyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine
SMILESCCN(c1nc(N)ns1)C1CC1
InChIInChI=1S/C7H12N4S/c1-2-11(5-3-4-5)7-9-6(8)10-12-7/h5H,2-4H2,1H3,(H2,8,10)
InChIKeyXJQACWBDZJWLDQ-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.11
Rot. Bonds3

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

5-N-cyclopropyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66279016) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 5-N-cyclopropyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine
PubChem CID66279016
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name5-N-cyclopropyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine
SMILESCCN(c1nc(N)ns1)C1CC1
InChIInChI=1S/C7H12N4S/c1-2-11(5-3-4-5)7-9-6(8)10-12-7/h5H,2-4H2,1H3,(H2,8,10)
InChIKeyXJQACWBDZJWLDQ-UHFFFAOYSA-N
XLogP1.11
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 51.11
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-ethyl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-cyclopropyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine (CID 66279016) is 5-N-cyclopropyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-cyclopropyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-cyclopropyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine is CCN(c1nc(N)ns1)C1CC1.
What is the InChIKey of 5-N-cyclopropyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is XJQACWBDZJWLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-2-11(5-3-4-5)7-9-6(8)10-12-7/h5H,2-4H2,1H3,(H2,8,10).
What are the key properties of 5-N-cyclopropyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine?
5-N-cyclopropyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 184.27 g/mol, XLogP of 1.11, 3 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-ethyl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66279016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).