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

C11H16N4OS — CID 106963515

IUPAC5-(ethylaminomethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NCc2sccc2C)o1
InChIInChI=1S/C11H16N4OS/c1-3-12-7-10-14-15-11(16-10)13-6-9-8(2)4-5-17-9/h4-5,12H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyLKCMZIXYXHHJNP-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.16
Rot. Bonds6

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

5-(ethylaminomethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106963515) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106963515
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name5-(ethylaminomethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NCc2sccc2C)o1
InChIInChI=1S/C11H16N4OS/c1-3-12-7-10-14-15-11(16-10)13-6-9-8(2)4-5-17-9/h4-5,12H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyLKCMZIXYXHHJNP-UHFFFAOYSA-N
XLogP2.16
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methoxyethylamino)methyl]-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963512
5-(chloromethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106958251
5-(1-aminoethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963509
5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106967437
5-(ethylaminomethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961014
5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969546
N-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106961822
5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960518
5-(ethylaminomethyl)-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969533
5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106964891
N-[(5-ethylfuran-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 86782910
5-[(tert-butylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960373

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 106963515) is 5-(ethylaminomethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine is CCNCc1nnc(NCc2sccc2C)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is LKCMZIXYXHHJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-3-12-7-10-14-15-11(16-10)13-6-9-8(2)4-5-17-9/h4-5,12H,3,6-7H2,1-2H3,(H,13,15).
What are the key properties of 5-(ethylaminomethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(ethylaminomethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 252.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).