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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Related Compounds

2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one
CID 137221313
3-(ethylamino)-5-(3-hydroxypropyl)-1H-pyrazin-2-one
CID 153362994
6-(ethylamino)-3,7-dihydropurin-2-one
CID 86270676
N-ethyl-5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 62202443
5-ethyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135819031
2-(ethylamino)pyridine-3-carbaldehyde
CID 15561922
4-N-ethyl-5,6-dimethylpyrimidine-2,4-diamine
CID 137384091
N,2-diethyl-5-methyl-1H-imidazol-4-amine
CID 57230131
2-(ethylamino)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 103331621
2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 55045831
4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine
CID 107361114
3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione
CID 62465248

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).