N-ethyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C9H13N5OS2 — CID 24649724

IUPACN-ethyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2nc(CC)no2)s1
InChIInChI=1S/C9H13N5OS2/c1-3-6-11-7(15-14-6)5-16-9-13-12-8(17-9)10-4-2/h3-5H2,1-2H3,(H,10,12)
InChIKeyADJWTCBWERUWGE-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.21
Rot. Bonds6

About N-ethyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

N-ethyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 24649724) has the molecular formula C9H13N5OS2 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-ethyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID24649724
Molecular FormulaC9H13N5OS2
Molecular Weight271.37 g/mol
Exact Mass271.06
IUPAC NameN-ethyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2nc(CC)no2)s1
InChIInChI=1S/C9H13N5OS2/c1-3-6-11-7(15-14-6)5-16-9-13-12-8(17-9)10-4-2/h3-5H2,1-2H3,(H,10,12)
InChIKeyADJWTCBWERUWGE-UHFFFAOYSA-N
XLogP2.21
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 24649724) is N-ethyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(SCc2nc(CC)no2)s1.
What is the InChIKey of N-ethyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ADJWTCBWERUWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS2/c1-3-6-11-7(15-14-6)5-16-9-13-12-8(17-9)10-4-2/h3-5H2,1-2H3,(H,10,12).
What are the key properties of N-ethyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 271.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24649724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).