[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

C13H15N3O2S — CID 2745424

IUPAC[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1cc(-c2nc(C(=O)N3CCCCC3)cs2)no1
InChIInChI=1S/C13H15N3O2S/c1-9-7-10(15-18-9)12-14-11(8-19-12)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3
InChIKeyNZIBKPONCLJFQB-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.73
Rot. Bonds2

About [2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 2745424) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is [2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
PubChem CID2745424
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1cc(-c2nc(C(=O)N3CCCCC3)cs2)no1
InChIInChI=1S/C13H15N3O2S/c1-9-7-10(15-18-9)12-14-11(8-19-12)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3
InChIKeyNZIBKPONCLJFQB-UHFFFAOYSA-N
XLogP2.73
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (CID 2745424) is [2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is Cc1cc(-c2nc(C(=O)N3CCCCC3)cs2)no1.
What is the InChIKey of [2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is NZIBKPONCLJFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-7-10(15-18-9)12-14-11(8-19-12)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3.
What are the key properties of [2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 277.35 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 2745424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).