N-(2-ethylpyrimidin-5-yl)-N'-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]oxamide

C15H19N5O2S — CID 91645938

IUPACN-(2-ethylpyrimidin-5-yl)-N'-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]oxamide
SMILESCCc1ncc(NC(=O)C(=O)NC(C)c2ncc(CC)s2)cn1
InChIInChI=1S/C15H19N5O2S/c1-4-11-8-18-15(23-11)9(3)19-13(21)14(22)20-10-6-16-12(5-2)17-7-10/h6-9H,4-5H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyQIERRZIEEMYCCH-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.87
Rot. Bonds5

About N-(2-ethylpyrimidin-5-yl)-N'-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]oxamide

N-(2-ethylpyrimidin-5-yl)-N'-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]oxamide (PubChem CID 91645938) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(2-ethylpyrimidin-5-yl)-N'-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-(2-ethylpyrimidin-5-yl)-N'-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]oxamide
PubChem CID91645938
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-(2-ethylpyrimidin-5-yl)-N'-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]oxamide
SMILESCCc1ncc(NC(=O)C(=O)NC(C)c2ncc(CC)s2)cn1
InChIInChI=1S/C15H19N5O2S/c1-4-11-8-18-15(23-11)9(3)19-13(21)14(22)20-10-6-16-12(5-2)17-7-10/h6-9H,4-5H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyQIERRZIEEMYCCH-UHFFFAOYSA-N
XLogP1.87
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrimidin-5-yl)-N'-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]oxamide?
The IUPAC name of N-(2-ethylpyrimidin-5-yl)-N'-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]oxamide (CID 91645938) is N-(2-ethylpyrimidin-5-yl)-N'-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]oxamide.
What is the SMILES notation for N-(2-ethylpyrimidin-5-yl)-N'-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]oxamide?
The canonical SMILES for N-(2-ethylpyrimidin-5-yl)-N'-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]oxamide is CCc1ncc(NC(=O)C(=O)NC(C)c2ncc(CC)s2)cn1.
What is the InChIKey of N-(2-ethylpyrimidin-5-yl)-N'-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]oxamide?
The InChIKey is QIERRZIEEMYCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-4-11-8-18-15(23-11)9(3)19-13(21)14(22)20-10-6-16-12(5-2)17-7-10/h6-9H,4-5H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-ethylpyrimidin-5-yl)-N'-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]oxamide?
N-(2-ethylpyrimidin-5-yl)-N'-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]oxamide has a molecular weight of 333.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrimidin-5-yl)-N'-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]oxamide is sourced from PubChem (CID 91645938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).