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

C13H14N4OS2 — CID 80656293

IUPAC4-[3-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
SMILESCc1cscc1-c1noc(CCCc2csc(N)n2)n1
InChIInChI=1S/C13H14N4OS2/c1-8-5-19-7-10(8)12-16-11(18-17-12)4-2-3-9-6-20-13(14)15-9/h5-7H,2-4H2,1H3,(H2,14,15)
InChIKeyBUELJKJFXNKEPY-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.32
Rot. Bonds5

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

4-[3-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine (PubChem CID 80656293) has the molecular formula C13H14N4OS2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 4-[3-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
PubChem CID80656293
Molecular FormulaC13H14N4OS2
Molecular Weight306.42 g/mol
Exact Mass306.06
IUPAC Name4-[3-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
SMILESCc1cscc1-c1noc(CCCc2csc(N)n2)n1
InChIInChI=1S/C13H14N4OS2/c1-8-5-19-7-10(8)12-16-11(18-17-12)4-2-3-9-6-20-13(14)15-9/h5-7H,2-4H2,1H3,(H2,14,15)
InChIKeyBUELJKJFXNKEPY-UHFFFAOYSA-N
XLogP3.32
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-[3-(4-methylthiophen-3-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-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 104788856
4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine
CID 80655454
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-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80655602
4-[3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 116632721
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-(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
5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790693
4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine
CID 80656600
4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 116740345
4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 81274489

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine (CID 80656293) is 4-[3-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine is Cc1cscc1-c1noc(CCCc2csc(N)n2)n1.
What is the InChIKey of 4-[3-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The InChIKey is BUELJKJFXNKEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS2/c1-8-5-19-7-10(8)12-16-11(18-17-12)4-2-3-9-6-20-13(14)15-9/h5-7H,2-4H2,1H3,(H2,14,15).
What are the key properties of 4-[3-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
4-[3-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine has a molecular weight of 306.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 80656293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).