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

C12H19N5O2S — CID 106960965

IUPAC5-[(2-methoxyethylamino)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NCCc2nc(C)cs2)o1
InChIInChI=1S/C12H19N5O2S/c1-9-8-20-11(15-9)3-4-14-12-17-16-10(19-12)7-13-5-6-18-2/h8,13H,3-7H2,1-2H3,(H,14,17)
InChIKeyOTYIXFDIKALKIL-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.23
Rot. Bonds9

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

5-[(2-methoxyethylamino)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960965) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960965
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NCCc2nc(C)cs2)o1
InChIInChI=1S/C12H19N5O2S/c1-9-8-20-11(15-9)3-4-14-12-17-16-10(19-12)7-13-5-6-18-2/h8,13H,3-7H2,1-2H3,(H,14,17)
InChIKeyOTYIXFDIKALKIL-UHFFFAOYSA-N
XLogP1.23
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.23
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-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960958
5-[(2-methoxyethylamino)methyl]-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106968158
5-[(2-methoxyethylamino)methyl]-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963512
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106046898
N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970247
5-[(2-methoxyethylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960372
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966006
5-[(2-methoxyethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106970844
5-[(2-methoxyethylamino)methyl]-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine
CID 106969617
5-(ethylaminomethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961014
N-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide
CID 106969158
N-[(4-bromophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968346

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106960965) is 5-[(2-methoxyethylamino)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is COCCNCc1nnc(NCCc2nc(C)cs2)o1.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OTYIXFDIKALKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-9-8-20-11(15-9)3-4-14-12-17-16-10(19-12)7-13-5-6-18-2/h8,13H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 297.38 g/mol, XLogP of 1.23, 9 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-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).