N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine

C11H17N5OS — CID 65207621

IUPACN-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(-c2snnc2C(C)(C)C)n1
InChIInChI=1S/C11H17N5OS/c1-5-12-6-7-13-10(17-15-7)8-9(11(2,3)4)14-16-18-8/h12H,5-6H2,1-4H3
InChIKeyZANHIHOBYYHKBZ-UHFFFAOYSA-N
MW267.36 g/mol
LogP2.00
Rot. Bonds4

About N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine

N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (PubChem CID 65207621) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
PubChem CID65207621
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC NameN-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(-c2snnc2C(C)(C)C)n1
InChIInChI=1S/C11H17N5OS/c1-5-12-6-7-13-10(17-15-7)8-9(11(2,3)4)14-16-18-8/h12H,5-6H2,1-4H3
InChIKeyZANHIHOBYYHKBZ-UHFFFAOYSA-N
XLogP2.00
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 65206379
1-[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096520
N-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62341778
5-(4-tert-butylthiadiazol-5-yl)-3-(1-chloroethyl)-1,2,4-oxadiazole
CID 102661118
[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 65207516
N-methyl-2-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 65206378
5-(4-tert-butylthiadiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 65207262
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866179
N-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342352
N-[[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342943
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
N-[[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 103511959

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (CID 65207621) is N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is CCNCc1noc(-c2snnc2C(C)(C)C)n1.
What is the InChIKey of N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The InChIKey is ZANHIHOBYYHKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-5-12-6-7-13-10(17-15-7)8-9(11(2,3)4)14-16-18-8/h12H,5-6H2,1-4H3.
What are the key properties of N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine has a molecular weight of 267.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 65207621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).