N-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide

C11H10N4O2S — CID 564741

IUPACN-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)Nc1nccs1
InChIInChI=1S/C11H10N4O2S/c16-9(10(17)15-11-13-5-6-18-11)14-7-8-1-3-12-4-2-8/h1-6H,7H2,(H,14,16)(H,13,15,17)
InChIKeyBMVXVZDZCUPPEF-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.79
Rot. Bonds3

About N-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide

N-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 564741) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide
PubChem CID564741
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC NameN-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)Nc1nccs1
InChIInChI=1S/C11H10N4O2S/c16-9(10(17)15-11-13-5-6-18-11)14-7-8-1-3-12-4-2-8/h1-6H,7H2,(H,14,16)(H,13,15,17)
InChIKeyBMVXVZDZCUPPEF-UHFFFAOYSA-N
XLogP0.79
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide (CID 564741) is N-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide is O=C(NCc1ccncc1)C(=O)Nc1nccs1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide?
The InChIKey is BMVXVZDZCUPPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c16-9(10(17)15-11-13-5-6-18-11)14-7-8-1-3-12-4-2-8/h1-6H,7H2,(H,14,16)(H,13,15,17).
What are the key properties of N-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide?
N-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 262.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 564741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).