2-(4-ethoxypyrimidin-2-yl)-4-ethyl-N'-hydroxy-1,3-thiazole-5-carboximidamide

C12H15N5O2S — CID 137278818

IUPAC2-(4-ethoxypyrimidin-2-yl)-4-ethyl-N'-hydroxy-1,3-thiazole-5-carboximidamide
SMILESCCOc1ccnc(-c2nc(CC)c(C(N)=NO)s2)n1
InChIInChI=1S/C12H15N5O2S/c1-3-7-9(10(13)17-18)20-12(15-7)11-14-6-5-8(16-11)19-4-2/h5-6,18H,3-4H2,1-2H3,(H2,13,17)
InChIKeyIJQUPHSDXOWCJN-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.66
Rot. Bonds5

About 2-(4-ethoxypyrimidin-2-yl)-4-ethyl-N'-hydroxy-1,3-thiazole-5-carboximidamide

2-(4-ethoxypyrimidin-2-yl)-4-ethyl-N'-hydroxy-1,3-thiazole-5-carboximidamide (PubChem CID 137278818) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(4-ethoxypyrimidin-2-yl)-4-ethyl-N'-hydroxy-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name2-(4-ethoxypyrimidin-2-yl)-4-ethyl-N'-hydroxy-1,3-thiazole-5-carboximidamide
PubChem CID137278818
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name2-(4-ethoxypyrimidin-2-yl)-4-ethyl-N'-hydroxy-1,3-thiazole-5-carboximidamide
SMILESCCOc1ccnc(-c2nc(CC)c(C(N)=NO)s2)n1
InChIInChI=1S/C12H15N5O2S/c1-3-7-9(10(13)17-18)20-12(15-7)11-14-6-5-8(16-11)19-4-2/h5-6,18H,3-4H2,1-2H3,(H2,13,17)
InChIKeyIJQUPHSDXOWCJN-UHFFFAOYSA-N
XLogP1.66
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypyrimidin-2-yl)-4-ethyl-N'-hydroxy-1,3-thiazole-5-carboximidamide?
The IUPAC name of 2-(4-ethoxypyrimidin-2-yl)-4-ethyl-N'-hydroxy-1,3-thiazole-5-carboximidamide (CID 137278818) is 2-(4-ethoxypyrimidin-2-yl)-4-ethyl-N'-hydroxy-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 2-(4-ethoxypyrimidin-2-yl)-4-ethyl-N'-hydroxy-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 2-(4-ethoxypyrimidin-2-yl)-4-ethyl-N'-hydroxy-1,3-thiazole-5-carboximidamide is CCOc1ccnc(-c2nc(CC)c(C(N)=NO)s2)n1.
What is the InChIKey of 2-(4-ethoxypyrimidin-2-yl)-4-ethyl-N'-hydroxy-1,3-thiazole-5-carboximidamide?
The InChIKey is IJQUPHSDXOWCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-3-7-9(10(13)17-18)20-12(15-7)11-14-6-5-8(16-11)19-4-2/h5-6,18H,3-4H2,1-2H3,(H2,13,17).
What are the key properties of 2-(4-ethoxypyrimidin-2-yl)-4-ethyl-N'-hydroxy-1,3-thiazole-5-carboximidamide?
2-(4-ethoxypyrimidin-2-yl)-4-ethyl-N'-hydroxy-1,3-thiazole-5-carboximidamide has a molecular weight of 293.35 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypyrimidin-2-yl)-4-ethyl-N'-hydroxy-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 137278818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).