5-[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1H-1,2,4-triazol-3-amine

C11H17N7S — CID 125423749

IUPAC5-[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1H-1,2,4-triazol-3-amine
SMILESCCc1nsc(N2CCC[C@H](c3nc(N)n[nH]3)C2)n1
InChIInChI=1S/C11H17N7S/c1-2-8-13-11(19-17-8)18-5-3-4-7(6-18)9-14-10(12)16-15-9/h7H,2-6H2,1H3,(H3,12,14,15,16)/t7-/m0/s1
InChIKeyAFHBVCOAUJMQGW-ZETCQYMHSA-N
MW279.37 g/mol
LogP1.18
Rot. Bonds3

About 5-[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1H-1,2,4-triazol-3-amine

5-[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 125423749) has the molecular formula C11H17N7S and a molecular weight of 279.37 g/mol. Its IUPAC name is 5-[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1H-1,2,4-triazol-3-amine
PubChem CID125423749
Molecular FormulaC11H17N7S
Molecular Weight279.37 g/mol
Exact Mass279.13
IUPAC Name5-[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1H-1,2,4-triazol-3-amine
SMILESCCc1nsc(N2CCC[C@H](c3nc(N)n[nH]3)C2)n1
InChIInChI=1S/C11H17N7S/c1-2-8-13-11(19-17-8)18-5-3-4-7(6-18)9-14-10(12)16-15-9/h7H,2-6H2,1H3,(H3,12,14,15,16)/t7-/m0/s1
InChIKeyAFHBVCOAUJMQGW-ZETCQYMHSA-N
XLogP1.18
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1H-1,2,4-triazol-3-amine (CID 125423749) is 5-[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1H-1,2,4-triazol-3-amine is CCc1nsc(N2CCC[C@H](c3nc(N)n[nH]3)C2)n1.
What is the InChIKey of 5-[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is AFHBVCOAUJMQGW-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17N7S/c1-2-8-13-11(19-17-8)18-5-3-4-7(6-18)9-14-10(12)16-15-9/h7H,2-6H2,1H3,(H3,12,14,15,16)/t7-/m0/s1.
What are the key properties of 5-[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1H-1,2,4-triazol-3-amine?
5-[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 279.37 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 125423749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).