2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethial

C4H5N3S2 — CID 19860494

IUPAC2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethial
SMILESNc1nc(CC=S)ns1
InChIInChI=1S/C4H5N3S2/c5-4-6-3(1-2-8)7-9-4/h2H,1H2,(H2,5,6,7)
InChIKeyNYVJVNFINFOASX-UHFFFAOYSA-N
MW159.24 g/mol
LogP0.66
Rot. Bonds2

About 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethial

2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethial (PubChem CID 19860494) has the molecular formula C4H5N3S2 and a molecular weight of 159.24 g/mol. Its IUPAC name is 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethial.

Molecular Properties

Compound Name2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethial
PubChem CID19860494
Molecular FormulaC4H5N3S2
Molecular Weight159.24 g/mol
Exact Mass158.99
IUPAC Name2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethial
SMILESNc1nc(CC=S)ns1
InChIInChI=1S/C4H5N3S2/c5-4-6-3(1-2-8)7-9-4/h2H,1H2,(H2,5,6,7)
InChIKeyNYVJVNFINFOASX-UHFFFAOYSA-N
XLogP0.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(Propan-2-yl)-1,2,4-thiadiazol-5-amine
CID 581957
3-Propyl-1,2,4-thiadiazol-5-amine
CID 575489
5-Ethyl-1,2,4-thiadiazol-3-amine
CID 12246463
5-Amino-3-ethyl-1,2,4-thiadiazole
CID 2756430
3-Cyclopropyl-1,2,4-thiadiazol-5-amine
CID 23092533
3-(3,3,3-Trifluoro-propyl)-[1,2,4]thiadiazol-5-ylamine
CID 66898934
3-(1-Fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 174597237
3-(2,2,2-Trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 61392887
3-(Methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 62691499
[3-(3,3,3-Trifluoropropyl)-1,2,4-thiadiazol-5-yl]azanide
CID 157930821
3-Butyl-1,2,4-thiadiazol-5-amine
CID 23331283
2-(5-Methyl-1,2,4-thiadiazol-3-yl)ethanethial
CID 54034921

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethial?
The IUPAC name of 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethial (CID 19860494) is 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethial.
What is the SMILES notation for 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethial?
The canonical SMILES for 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethial is Nc1nc(CC=S)ns1.
What is the InChIKey of 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethial?
The InChIKey is NYVJVNFINFOASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3S2/c5-4-6-3(1-2-8)7-9-4/h2H,1H2,(H2,5,6,7).
What are the key properties of 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethial?
2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethial has a molecular weight of 159.24 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethial is sourced from PubChem (CID 19860494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).