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

C11H17N5O2S — CID 106970844

IUPAC5-[(2-methoxyethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NCc2cnc(C)s2)o1
InChIInChI=1S/C11H17N5O2S/c1-8-13-5-9(19-8)6-14-11-16-15-10(18-11)7-12-3-4-17-2/h5,12H,3-4,6-7H2,1-2H3,(H,14,16)
InChIKeyLUBAKOFPYRYERF-UHFFFAOYSA-N
MW283.36 g/mol
LogP1.18
Rot. Bonds8

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

5-[(2-methoxyethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106970844) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106970844
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NCc2cnc(C)s2)o1
InChIInChI=1S/C11H17N5O2S/c1-8-13-5-9(19-8)6-14-11-16-15-10(18-11)7-12-3-4-17-2/h5,12H,3-4,6-7H2,1-2H3,(H,14,16)
InChIKeyLUBAKOFPYRYERF-UHFFFAOYSA-N
XLogP1.18
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-methoxyethylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960372
5-[(2-methoxyethylamino)methyl]-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963512
5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968280
N-[(4-bromophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968346
N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970247
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106046898
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966006
5-[(2-methoxyethylamino)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960965
5-[(2-methoxyethylamino)methyl]-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106968158
2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 65181879
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 115925127
5-[(2-methoxyethylamino)methyl]-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine
CID 106969617

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 106970844) is 5-[(2-methoxyethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine is COCCNCc1nnc(NCc2cnc(C)s2)o1.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is LUBAKOFPYRYERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-8-13-5-9(19-8)6-14-11-16-15-10(18-11)7-12-3-4-17-2/h5,12H,3-4,6-7H2,1-2H3,(H,14,16).
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 283.36 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).