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

C8H13N3OS — CID 130610885

IUPACN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thietan-3-amine
SMILESCc1noc(C(C)NC2CSC2)n1
InChIInChI=1S/C8H13N3OS/c1-5(9-7-3-13-4-7)8-10-6(2)11-12-8/h5,7,9H,3-4H2,1-2H3
InChIKeyWVAZJRKZZXDKFT-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.14
Rot. Bonds3

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

N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thietan-3-amine (PubChem CID 130610885) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thietan-3-amine.

Molecular Properties

Compound NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thietan-3-amine
PubChem CID130610885
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thietan-3-amine
SMILESCc1noc(C(C)NC2CSC2)n1
InChIInChI=1S/C8H13N3OS/c1-5(9-7-3-13-4-7)8-10-6(2)11-12-8/h5,7,9H,3-4H2,1-2H3
InChIKeyWVAZJRKZZXDKFT-UHFFFAOYSA-N
XLogP1.14
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine
CID 127001473
N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine
CID 130621345
N-[1-(2-methylpyrimidin-4-yl)ethyl]thietan-3-amine
CID 131047742
N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
CID 90326100
N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine
CID 115720116
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thian-4-amine
CID 50953968
5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole
CID 89185724
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidin-4-amine
CID 97438269
2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975706
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
N-benzyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 130841233
(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 146534926

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thietan-3-amine?
The IUPAC name of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thietan-3-amine (CID 130610885) is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thietan-3-amine.
What is the SMILES notation for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thietan-3-amine?
The canonical SMILES for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thietan-3-amine is Cc1noc(C(C)NC2CSC2)n1.
What is the InChIKey of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thietan-3-amine?
The InChIKey is WVAZJRKZZXDKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5(9-7-3-13-4-7)8-10-6(2)11-12-8/h5,7,9H,3-4H2,1-2H3.
What are the key properties of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thietan-3-amine?
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thietan-3-amine has a molecular weight of 199.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thietan-3-amine is sourced from PubChem (CID 130610885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).