(1S)-1-(1,2,4-thiadiazol-5-yl)ethanamine

C4H7N3S — CID 82418721

IUPAC(1S)-1-(1,2,4-thiadiazol-5-yl)ethanamine
SMILESC[C@H](N)c1ncns1
InChIInChI=1S/C4H7N3S/c1-3(5)4-6-2-7-8-4/h2-3H,5H2,1H3/t3-/m0/s1
InChIKeyOYJOFWTWITUDQR-VKHMYHEASA-N
MW129.19 g/mol
LogP0.56
Rot. Bonds1

About (1S)-1-(1,2,4-thiadiazol-5-yl)ethanamine

(1S)-1-(1,2,4-thiadiazol-5-yl)ethanamine (PubChem CID 82418721) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is (1S)-1-(1,2,4-thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1,2,4-thiadiazol-5-yl)ethanamine
PubChem CID82418721
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC Name(1S)-1-(1,2,4-thiadiazol-5-yl)ethanamine
SMILESC[C@H](N)c1ncns1
InChIInChI=1S/C4H7N3S/c1-3(5)4-6-2-7-8-4/h2-3H,5H2,1H3/t3-/m0/s1
InChIKeyOYJOFWTWITUDQR-VKHMYHEASA-N
XLogP0.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2,4-thiadiazol-5-yl)butan-1-amine
CID 82415875
2-(1,2,4-thiadiazol-5-yl)propane-1-thiol
CID 138705448
3-(1,2,4-thiadiazol-5-yl)butan-2-one
CID 65280719
4-methyl-3-(1,2,4-thiadiazol-5-yl)pentan-2-one
CID 65280657
5-hexan-3-yl-1,2,4-thiadiazole
CID 129264346
5-pentadecan-8-yl-1,2,4-thiadiazole
CID 129212992
2-[(1S)-1-aminoethyl]-1,3-thiazol-5-amine
CID 82417873
(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 42252000
1,2,4-thiadiazol-5-amine;hydrochloride
CID 22014543
3-tert-butyl-5-[2-(1,2,4-thiadiazol-5-yl)propyl]-1,2,4-thiadiazole
CID 147906538
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
CID 73012335
1-(5-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 83846933

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1,2,4-thiadiazol-5-yl)ethanamine?
The IUPAC name of (1S)-1-(1,2,4-thiadiazol-5-yl)ethanamine (CID 82418721) is (1S)-1-(1,2,4-thiadiazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-1-(1,2,4-thiadiazol-5-yl)ethanamine?
The canonical SMILES for (1S)-1-(1,2,4-thiadiazol-5-yl)ethanamine is C[C@H](N)c1ncns1.
What is the InChIKey of (1S)-1-(1,2,4-thiadiazol-5-yl)ethanamine?
The InChIKey is OYJOFWTWITUDQR-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7N3S/c1-3(5)4-6-2-7-8-4/h2-3H,5H2,1H3/t3-/m0/s1.
What are the key properties of (1S)-1-(1,2,4-thiadiazol-5-yl)ethanamine?
(1S)-1-(1,2,4-thiadiazol-5-yl)ethanamine has a molecular weight of 129.19 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1,2,4-thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 82418721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).