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

C12H14N6OS — CID 80656190

IUPAC4-[3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
SMILESCn1cc(-c2noc(CCCc3csc(N)n3)n2)cn1
InChIInChI=1S/C12H14N6OS/c1-18-6-8(5-14-18)11-16-10(19-17-11)4-2-3-9-7-20-12(13)15-9/h5-7H,2-4H2,1H3,(H2,13,15)
InChIKeyVTJPEULCOVTYRT-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.68
Rot. Bonds5

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

4-[3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine (PubChem CID 80656190) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-[3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
PubChem CID80656190
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name4-[3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
SMILESCn1cc(-c2noc(CCCc3csc(N)n3)n2)cn1
InChIInChI=1S/C12H14N6OS/c1-18-6-8(5-14-18)11-16-10(19-17-11)4-2-3-9-7-20-12(13)15-9/h5-7H,2-4H2,1H3,(H2,13,15)
InChIKeyVTJPEULCOVTYRT-UHFFFAOYSA-N
XLogP1.68
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine (CID 80656190) is 4-[3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine is Cn1cc(-c2noc(CCCc3csc(N)n3)n2)cn1.
What is the InChIKey of 4-[3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The InChIKey is VTJPEULCOVTYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-18-6-8(5-14-18)11-16-10(19-17-11)4-2-3-9-7-20-12(13)15-9/h5-7H,2-4H2,1H3,(H2,13,15).
What are the key properties of 4-[3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
4-[3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine has a molecular weight of 290.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 80656190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).