N-ethyl-1,2,4-thiadiazol-5-amine;molecular hydrogen

C4H9N3S — CID 164869847

IUPACN-ethyl-1,2,4-thiadiazol-5-amine;molecular hydrogen
SMILESCCNc1ncns1.[H][H]
InChIInChI=1S/C4H7N3S.H2/c1-2-5-4-6-3-7-8-4;/h3H,2H2,1H3,(H,5,6,7);1H
InChIKeyGDJUXMTYCATTRT-UHFFFAOYSA-N
MW131.20 g/mol
LogP1.22
Rot. Bonds2

About N-ethyl-1,2,4-thiadiazol-5-amine;molecular hydrogen

N-ethyl-1,2,4-thiadiazol-5-amine;molecular hydrogen (PubChem CID 164869847) has the molecular formula C4H9N3S and a molecular weight of 131.20 g/mol. Its IUPAC name is N-ethyl-1,2,4-thiadiazol-5-amine;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-1,2,4-thiadiazol-5-amine;molecular hydrogen
PubChem CID164869847
Molecular FormulaC4H9N3S
Molecular Weight131.20 g/mol
Exact Mass131.05
IUPAC NameN-ethyl-1,2,4-thiadiazol-5-amine;molecular hydrogen
SMILESCCNc1ncns1.[H][H]
InChIInChI=1S/C4H7N3S.H2/c1-2-5-4-6-3-7-8-4;/h3H,2H2,1H3,(H,5,6,7);1H
InChIKeyGDJUXMTYCATTRT-UHFFFAOYSA-N
XLogP1.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-octyl-1,2,4-thiadiazol-5-amine
CID 115568955
N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65272508
N-methyl-1,2,4-thiadiazol-5-amine;hydrochloride
CID 118342763
N-[2-(chloromethyl)-2-ethylbutyl]-1,2,4-thiadiazol-5-amine
CID 106252780
N,2-dimethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 115303221
N-(2-propan-2-yloxyethyl)-1,2,4-thiadiazol-5-amine
CID 104577034
2-methyl-2-N-(1,2,4-thiadiazol-5-yl)butane-1,2-diamine
CID 65277894
4,4-dimethyl-1-(1,2,4-thiadiazol-5-ylamino)pentan-2-ol
CID 103865902
2-methyl-N-(1,2,4-thiadiazol-5-yl)butane-1,4-diamine
CID 66106156
N-(1-chloro-2,3-dimethylbutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 131059466
N-(2-methylpentan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65277217
N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 82739102

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,2,4-thiadiazol-5-amine;molecular hydrogen?
The IUPAC name of N-ethyl-1,2,4-thiadiazol-5-amine;molecular hydrogen (CID 164869847) is N-ethyl-1,2,4-thiadiazol-5-amine;molecular hydrogen.
What is the SMILES notation for N-ethyl-1,2,4-thiadiazol-5-amine;molecular hydrogen?
The canonical SMILES for N-ethyl-1,2,4-thiadiazol-5-amine;molecular hydrogen is CCNc1ncns1.[H][H].
What is the InChIKey of N-ethyl-1,2,4-thiadiazol-5-amine;molecular hydrogen?
The InChIKey is GDJUXMTYCATTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S.H2/c1-2-5-4-6-3-7-8-4;/h3H,2H2,1H3,(H,5,6,7);1H.
What are the key properties of N-ethyl-1,2,4-thiadiazol-5-amine;molecular hydrogen?
N-ethyl-1,2,4-thiadiazol-5-amine;molecular hydrogen has a molecular weight of 131.20 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,2,4-thiadiazol-5-amine;molecular hydrogen is sourced from PubChem (CID 164869847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).