1-(1,2,4-thiadiazol-5-yl)butan-1-amine

C6H11N3S — CID 82415875

IUPAC1-(1,2,4-thiadiazol-5-yl)butan-1-amine
SMILESCCCC(N)c1ncns1
InChIInChI=1S/C6H11N3S/c1-2-3-5(7)6-8-4-9-10-6/h4-5H,2-3,7H2,1H3
InChIKeyZEBQVCPCSFZDCS-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.34
Rot. Bonds3

About 1-(1,2,4-thiadiazol-5-yl)butan-1-amine

1-(1,2,4-thiadiazol-5-yl)butan-1-amine (PubChem CID 82415875) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 1-(1,2,4-thiadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name1-(1,2,4-thiadiazol-5-yl)butan-1-amine
PubChem CID82415875
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name1-(1,2,4-thiadiazol-5-yl)butan-1-amine
SMILESCCCC(N)c1ncns1
InChIInChI=1S/C6H11N3S/c1-2-3-5(7)6-8-4-9-10-6/h4-5H,2-3,7H2,1H3
InChIKeyZEBQVCPCSFZDCS-UHFFFAOYSA-N
XLogP1.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,2,4-thiadiazol-5-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hexan-3-yl-1,2,4-thiadiazole
CID 129264346
(1S)-1-(1,2,4-thiadiazol-5-yl)ethanamine
CID 82418721
5-pentadecan-8-yl-1,2,4-thiadiazole
CID 129212992
1-(5-iodo-1,3-thiazol-2-yl)butan-1-amine
CID 66220876
2-(1,2,4-thiadiazol-5-yl)propane-1-thiol
CID 138705448
1-(5-methyl-1,2-thiazol-3-yl)butan-1-amine
CID 82412310
N-propyl-1-(1,2,4-thiadiazol-5-yl)pentan-2-amine
CID 65280543
(1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine
CID 93243184
1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)butan-1-amine
CID 61337625
4-[(1S)-1-aminobutyl]aniline;dihydrochloride
CID 53484663
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171200402
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-thiadiazol-5-yl)butan-1-amine?
The IUPAC name of 1-(1,2,4-thiadiazol-5-yl)butan-1-amine (CID 82415875) is 1-(1,2,4-thiadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 1-(1,2,4-thiadiazol-5-yl)butan-1-amine?
The canonical SMILES for 1-(1,2,4-thiadiazol-5-yl)butan-1-amine is CCCC(N)c1ncns1.
What is the InChIKey of 1-(1,2,4-thiadiazol-5-yl)butan-1-amine?
The InChIKey is ZEBQVCPCSFZDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-2-3-5(7)6-8-4-9-10-6/h4-5H,2-3,7H2,1H3.
What are the key properties of 1-(1,2,4-thiadiazol-5-yl)butan-1-amine?
1-(1,2,4-thiadiazol-5-yl)butan-1-amine has a molecular weight of 157.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-thiadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 82415875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).