1-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine

C11H17N5OS — CID 65206143

IUPAC1-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
SMILESCCCC(N)c1noc(-c2snnc2C(C)C)n1
InChIInChI=1S/C11H17N5OS/c1-4-5-7(12)10-13-11(17-15-10)9-8(6(2)3)14-16-18-9/h6-7H,4-5,12H2,1-3H3
InChIKeyNWSZBNCBWARHDG-UHFFFAOYSA-N
MW267.36 g/mol
LogP2.51
Rot. Bonds5

About 1-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine

1-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine (PubChem CID 65206143) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
PubChem CID65206143
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name1-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
SMILESCCCC(N)c1noc(-c2snnc2C(C)C)n1
InChIInChI=1S/C11H17N5OS/c1-4-5-7(12)10-13-11(17-15-10)9-8(6(2)3)14-16-18-9/h6-7H,4-5,12H2,1-3H3
InChIKeyNWSZBNCBWARHDG-UHFFFAOYSA-N
XLogP2.51
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 65207667
N-[[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 65206379
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61323785
1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 80641531
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 104635759
1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61325011
1-[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096520
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 65207878
1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 65428528
1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 66157200
1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 107992698
3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
CID 114040934

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The IUPAC name of 1-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine (CID 65206143) is 1-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine.
What is the SMILES notation for 1-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The canonical SMILES for 1-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine is CCCC(N)c1noc(-c2snnc2C(C)C)n1.
What is the InChIKey of 1-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The InChIKey is NWSZBNCBWARHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-4-5-7(12)10-13-11(17-15-10)9-8(6(2)3)14-16-18-9/h6-7H,4-5,12H2,1-3H3.
What are the key properties of 1-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
1-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine is sourced from PubChem (CID 65206143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).