4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine

C13H20N4O2S — CID 116740345

IUPAC4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
SMILESCCC(C)(OC)c1noc(CCCc2csc(N)n2)n1
InChIInChI=1S/C13H20N4O2S/c1-4-13(2,18-3)11-16-10(19-17-11)7-5-6-9-8-20-12(14)15-9/h8H,4-7H2,1-3H3,(H2,14,15)
InChIKeyGUJMJJZPBWTDCP-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.56
Rot. Bonds7

About 4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine

4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine (PubChem CID 116740345) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
PubChem CID116740345
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
SMILESCCC(C)(OC)c1noc(CCCc2csc(N)n2)n1
InChIInChI=1S/C13H20N4O2S/c1-4-13(2,18-3)11-16-10(19-17-11)7-5-6-9-8-20-12(14)15-9/h8H,4-7H2,1-3H3,(H2,14,15)
InChIKeyGUJMJJZPBWTDCP-UHFFFAOYSA-N
XLogP2.56
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80655552
4-[3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80655651
N-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 116740290
4-[3-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80656293
4-[3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 116632721
5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790693
4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 116740363
4-[3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80656471
4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80655602
4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine
CID 80656600
4-[3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80656603
4-[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 104788856

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine (CID 116740345) is 4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine is CCC(C)(OC)c1noc(CCCc2csc(N)n2)n1.
What is the InChIKey of 4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The InChIKey is GUJMJJZPBWTDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-4-13(2,18-3)11-16-10(19-17-11)7-5-6-9-8-20-12(14)15-9/h8H,4-7H2,1-3H3,(H2,14,15).
What are the key properties of 4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine has a molecular weight of 296.40 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 116740345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).