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

C11H17N5OS — CID 106962100

IUPAC5-(propylaminomethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NC(C)c2nccs2)o1
InChIInChI=1S/C11H17N5OS/c1-3-4-12-7-9-15-16-11(17-9)14-8(2)10-13-5-6-18-10/h5-6,8,12H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyNECAAWNZQCXHDF-UHFFFAOYSA-N
MW267.36 g/mol
LogP2.20
Rot. Bonds7

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

5-(propylaminomethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106962100) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 5-(propylaminomethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(propylaminomethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106962100
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name5-(propylaminomethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NC(C)c2nccs2)o1
InChIInChI=1S/C11H17N5OS/c1-3-4-12-7-9-15-16-11(17-9)14-8(2)10-13-5-6-18-10/h5-6,8,12H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyNECAAWNZQCXHDF-UHFFFAOYSA-N
XLogP2.20
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(propylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106962103
5-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106961616
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960985
5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964534
5-(ethylaminomethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961014
5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969059
5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80825581
N,N-diethyl-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964253
2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80845107
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106962119

Frequently Asked Questions

What is the IUPAC name of 5-(propylaminomethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(propylaminomethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106962100) is 5-(propylaminomethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(propylaminomethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(propylaminomethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is CCCNCc1nnc(NC(C)c2nccs2)o1.
What is the InChIKey of 5-(propylaminomethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is NECAAWNZQCXHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-3-4-12-7-9-15-16-11(17-9)14-8(2)10-13-5-6-18-10/h5-6,8,12H,3-4,7H2,1-2H3,(H,14,16).
What are the key properties of 5-(propylaminomethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-(propylaminomethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 267.36 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylaminomethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).