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

C7H13N3S — CID 65280306

IUPACN-ethyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCCNC(C)Cc1ncns1
InChIInChI=1S/C7H13N3S/c1-3-8-6(2)4-7-9-5-10-11-7/h5-6,8H,3-4H2,1-2H3
InChIKeyCAHOWWFQLRGTGV-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.08
Rot. Bonds4

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

N-ethyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine (PubChem CID 65280306) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N-ethyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine
PubChem CID65280306
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN-ethyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCCNC(C)Cc1ncns1
InChIInChI=1S/C7H13N3S/c1-3-8-6(2)4-7-9-5-10-11-7/h5-6,8H,3-4H2,1-2H3
InChIKeyCAHOWWFQLRGTGV-UHFFFAOYSA-N
XLogP1.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.08
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
2-Fluoro-2-(1,2,4-thiadiazol-5-yl)propan-1-amine
CID 84021211
5-Pyrrolidin-2-yl-1,2,4-thiadiazole
CID 19934504
1-(1,2,4-Thiadiazol-5-yl)propan-2-imine
CID 54474176
5-Propyl-1,2,4-thiadiazole
CID 57105303
5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole
CID 68841070
N-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine
CID 82415856
5-Pyrrolidin-3-yl-1,2,4-thiadiazole
CID 82595706
1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N-methylpropan-2-amine
CID 175850298
1-(3-Methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
CID 65272740
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine (CID 65280306) is N-ethyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine is CCNC(C)Cc1ncns1.
What is the InChIKey of N-ethyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine?
The InChIKey is CAHOWWFQLRGTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-3-8-6(2)4-7-9-5-10-11-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine?
N-ethyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine has a molecular weight of 171.27 g/mol, XLogP of 1.08, 4 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)propan-2-amine is sourced from PubChem (CID 65280306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).