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

C13H20N4OS — CID 133346270

IUPAC3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCC(C)c1noc(NC(C)c2csc(C(C)C)n2)n1
InChIInChI=1S/C13H20N4OS/c1-7(2)11-16-13(18-17-11)14-9(5)10-6-19-12(15-10)8(3)4/h6-9H,1-5H3,(H,14,16,17)
InChIKeyLAVFWPNXNYXLFO-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.95
Rot. Bonds5

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

3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine (PubChem CID 133346270) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
PubChem CID133346270
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCC(C)c1noc(NC(C)c2csc(C(C)C)n2)n1
InChIInChI=1S/C13H20N4OS/c1-7(2)11-16-13(18-17-11)14-9(5)10-6-19-12(15-10)8(3)4/h6-9H,1-5H3,(H,14,16,17)
InChIKeyLAVFWPNXNYXLFO-UHFFFAOYSA-N
XLogP3.95
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine with MolForge

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 133351246
5-bromo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 133346198
2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine
CID 83828774
3,5-difluoro-4-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 133346194
(2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid
CID 122049666
2-chloro-4-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 133346252
3-propan-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 133334643
2,4-bis(methylsulfonyl)-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]aniline
CID 97018973
5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 97317778
6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137262968
1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66374418
N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 94113861

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine (CID 133346270) is 3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine is CC(C)c1noc(NC(C)c2csc(C(C)C)n2)n1.
What is the InChIKey of 3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is LAVFWPNXNYXLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-7(2)11-16-13(18-17-11)14-9(5)10-6-19-12(15-10)8(3)4/h6-9H,1-5H3,(H,14,16,17).
What are the key properties of 3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine?
3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 280.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 133346270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).