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

C8H15N3S — CID 65280057

IUPACN-ethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCCNC(CC)Cc1ncns1
InChIInChI=1S/C8H15N3S/c1-3-7(9-4-2)5-8-10-6-11-12-8/h6-7,9H,3-5H2,1-2H3
InChIKeyRBGMHIBUXPJWIS-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.47
Rot. Bonds5

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

N-ethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine (PubChem CID 65280057) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-ethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine
PubChem CID65280057
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-ethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCCNC(CC)Cc1ncns1
InChIInChI=1S/C8H15N3S/c1-3-7(9-4-2)5-8-10-6-11-12-8/h6-7,9H,3-5H2,1-2H3
InChIKeyRBGMHIBUXPJWIS-UHFFFAOYSA-N
XLogP1.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-Trifluoro-3-(1,2,4-thiadiazol-5-yl)propan-2-amine
CID 82399164
5-Pyrrolidin-2-yl-1,2,4-thiadiazole
CID 19934504
5-Piperidin-3-yl-1,2,4-thiadiazole
CID 66761618
5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole
CID 68841070
N-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine
CID 82415856
5-Butyl-1,2,4-thiadiazol-4-ium
CID 173077140
1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N-methylpropan-2-amine
CID 175850298
1-(3-Methyl-1,2,4-thiadiazol-5-yl)pentan-2-amine
CID 65272741
1-(3-Methyl-1,2,4-thiadiazol-5-yl)butan-2-amine
CID 65272802
N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-amine
CID 65272925
1-(3-methyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine
CID 65272926
N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine
CID 65272986

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine?
The IUPAC name of N-ethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine (CID 65280057) is N-ethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine?
The canonical SMILES for N-ethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine is CCNC(CC)Cc1ncns1.
What is the InChIKey of N-ethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine?
The InChIKey is RBGMHIBUXPJWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-3-7(9-4-2)5-8-10-6-11-12-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of N-ethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine?
N-ethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 65280057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).