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

C6H7N5OS — CID 106404734

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCCc2ncon2)n1
InChIInChI=1S/C6H7N5OS/c1(5-9-4-12-11-5)2-7-6-8-3-10-13-6/h3-4H,1-2H2,(H,7,8,10)
InChIKeyYOKHCARPDNDAIJ-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.58
Rot. Bonds4

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

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 106404734) has the molecular formula C6H7N5OS and a molecular weight of 197.22 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID106404734
Molecular FormulaC6H7N5OS
Molecular Weight197.22 g/mol
Exact Mass197.04
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCCc2ncon2)n1
InChIInChI=1S/C6H7N5OS/c1(5-9-4-12-11-5)2-7-6-8-3-10-13-6/h3-4H,1-2H2,(H,7,8,10)
InChIKeyYOKHCARPDNDAIJ-UHFFFAOYSA-N
XLogP0.58
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273852
5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 106404263
4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 106404327
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 80689655
2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106411492
6-N-methyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106412168
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395964
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106404505
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 103744781
5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412553
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine
CID 106413115

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine (CID 106404734) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine is c1nsc(NCCc2ncon2)n1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is YOKHCARPDNDAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5OS/c1(5-9-4-12-11-5)2-7-6-8-3-10-13-6/h3-4H,1-2H2,(H,7,8,10).
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 197.22 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106404734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).