N-[2-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide

C17H12N6O2S — CID 69280633

IUPACN-[2-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)Nc1cc(-c2nccs2)nc(-c2ncco2)n1
InChIInChI=1S/C17H12N6O2S/c24-14(8-11-2-1-3-18-10-11)22-13-9-12(17-20-5-7-26-17)21-15(23-13)16-19-4-6-25-16/h1-7,9-10H,8H2,(H,21,22,23,24)
InChIKeyOZZGUZSOLUMIBL-UHFFFAOYSA-N
MW364.39 g/mol
LogP2.83
Rot. Bonds5

About N-[2-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide

N-[2-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide (PubChem CID 69280633) has the molecular formula C17H12N6O2S and a molecular weight of 364.39 g/mol. Its IUPAC name is N-[2-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
PubChem CID69280633
Molecular FormulaC17H12N6O2S
Molecular Weight364.39 g/mol
Exact Mass364.07
IUPAC NameN-[2-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)Nc1cc(-c2nccs2)nc(-c2ncco2)n1
InChIInChI=1S/C17H12N6O2S/c24-14(8-11-2-1-3-18-10-11)22-13-9-12(17-20-5-7-26-17)21-15(23-13)16-19-4-6-25-16/h1-7,9-10H,8H2,(H,21,22,23,24)
InChIKeyOZZGUZSOLUMIBL-UHFFFAOYSA-N
XLogP2.83
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[2-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide (CID 69280633) is N-[2-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[2-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[2-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)Nc1cc(-c2nccs2)nc(-c2ncco2)n1.
What is the InChIKey of N-[2-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
The InChIKey is OZZGUZSOLUMIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O2S/c24-14(8-11-2-1-3-18-10-11)22-13-9-12(17-20-5-7-26-17)21-15(23-13)16-19-4-6-25-16/h1-7,9-10H,8H2,(H,21,22,23,24).
What are the key properties of N-[2-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
N-[2-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide has a molecular weight of 364.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 69280633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).