N-ethyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine

C9H16N4S — CID 65269203

IUPACN-ethyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(N2CCCCC2)ns1
InChIInChI=1S/C9H16N4S/c1-2-10-9-11-8(12-14-9)13-6-4-3-5-7-13/h2-7H2,1H3,(H,10,11,12)
InChIKeyFHCKMMBSDRMBJC-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.96
Rot. Bonds3

About N-ethyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine

N-ethyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65269203) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is N-ethyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine
PubChem CID65269203
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC NameN-ethyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(N2CCCCC2)ns1
InChIInChI=1S/C9H16N4S/c1-2-10-9-11-8(12-14-9)13-6-4-3-5-7-13/h2-7H2,1H3,(H,10,11,12)
InChIKeyFHCKMMBSDRMBJC-UHFFFAOYSA-N
XLogP1.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepan-1-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65267644
N-ethyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 130855954
3-(azetidin-1-yl)-5-tert-butyl-1,2,4-thiadiazole
CID 169036029
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine;hydrochloride
CID 166761027
2-N-(2,2-dimethylpropyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775565
N-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190895
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
4-N-ethyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770163
N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351687
N-ethyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191304
N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine
CID 66307589

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine (CID 65269203) is N-ethyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine is CCNc1nc(N2CCCCC2)ns1.
What is the InChIKey of N-ethyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is FHCKMMBSDRMBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-2-10-9-11-8(12-14-9)13-6-4-3-5-7-13/h2-7H2,1H3,(H,10,11,12).
What are the key properties of N-ethyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine?
N-ethyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 212.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).