4-(ethylamino)-1,2,5-thiadiazol-3-one

C4H7N3OS — CID 70294901

IUPAC4-(ethylamino)-1,2,5-thiadiazol-3-one
SMILESCCNc1ns[nH]c1=O
InChIInChI=1S/C4H7N3OS/c1-2-5-3-4(8)7-9-6-3/h2H2,1H3,(H,5,6)(H,7,8)
InChIKeySBGUBCIOKXLQSD-UHFFFAOYSA-N
MW145.19 g/mol
LogP0.26
Rot. Bonds2

About 4-(ethylamino)-1,2,5-thiadiazol-3-one

4-(ethylamino)-1,2,5-thiadiazol-3-one (PubChem CID 70294901) has the molecular formula C4H7N3OS and a molecular weight of 145.19 g/mol. Its IUPAC name is 4-(ethylamino)-1,2,5-thiadiazol-3-one.

Molecular Properties

Compound Name4-(ethylamino)-1,2,5-thiadiazol-3-one
PubChem CID70294901
Molecular FormulaC4H7N3OS
Molecular Weight145.19 g/mol
Exact Mass145.03
IUPAC Name4-(ethylamino)-1,2,5-thiadiazol-3-one
SMILESCCNc1ns[nH]c1=O
InChIInChI=1S/C4H7N3OS/c1-2-5-3-4(8)7-9-6-3/h2H2,1H3,(H,5,6)(H,7,8)
InChIKeySBGUBCIOKXLQSD-UHFFFAOYSA-N
XLogP0.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-1,2,5-thiadiazol-3-one?
The IUPAC name of 4-(ethylamino)-1,2,5-thiadiazol-3-one (CID 70294901) is 4-(ethylamino)-1,2,5-thiadiazol-3-one.
What is the SMILES notation for 4-(ethylamino)-1,2,5-thiadiazol-3-one?
The canonical SMILES for 4-(ethylamino)-1,2,5-thiadiazol-3-one is CCNc1ns[nH]c1=O.
What is the InChIKey of 4-(ethylamino)-1,2,5-thiadiazol-3-one?
The InChIKey is SBGUBCIOKXLQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3OS/c1-2-5-3-4(8)7-9-6-3/h2H2,1H3,(H,5,6)(H,7,8).
What are the key properties of 4-(ethylamino)-1,2,5-thiadiazol-3-one?
4-(ethylamino)-1,2,5-thiadiazol-3-one has a molecular weight of 145.19 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-1,2,5-thiadiazol-3-one is sourced from PubChem (CID 70294901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).