N-ethyl-1,2,4-thiadiazol-3-amine

C4H7N3S — CID 57179512

IUPACN-ethyl-1,2,4-thiadiazol-3-amine
SMILESCCNc1ncsn1
InChIInChI=1S/C4H7N3S/c1-2-5-4-6-3-8-7-4/h3H,2H2,1H3,(H,5,7)
InChIKeyVBPVJHKFQYRLHU-UHFFFAOYSA-N
MW129.19 g/mol
LogP0.97
Rot. Bonds2

About N-ethyl-1,2,4-thiadiazol-3-amine

N-ethyl-1,2,4-thiadiazol-3-amine (PubChem CID 57179512) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is N-ethyl-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound NameN-ethyl-1,2,4-thiadiazol-3-amine
PubChem CID57179512
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC NameN-ethyl-1,2,4-thiadiazol-3-amine
SMILESCCNc1ncsn1
InChIInChI=1S/C4H7N3S/c1-2-5-4-6-3-8-7-4/h3H,2H2,1H3,(H,5,7)
InChIKeyVBPVJHKFQYRLHU-UHFFFAOYSA-N
XLogP0.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,2,4-thiadiazol-3-amine?
The IUPAC name of N-ethyl-1,2,4-thiadiazol-3-amine (CID 57179512) is N-ethyl-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for N-ethyl-1,2,4-thiadiazol-3-amine?
The canonical SMILES for N-ethyl-1,2,4-thiadiazol-3-amine is CCNc1ncsn1.
What is the InChIKey of N-ethyl-1,2,4-thiadiazol-3-amine?
The InChIKey is VBPVJHKFQYRLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S/c1-2-5-4-6-3-8-7-4/h3H,2H2,1H3,(H,5,7).
What are the key properties of N-ethyl-1,2,4-thiadiazol-3-amine?
N-ethyl-1,2,4-thiadiazol-3-amine has a molecular weight of 129.19 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 57179512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).