N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(4-methyl-2-pyridinyl)oxamide

C11H12N4O2S — CID 108530798

IUPACN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(4-methyl-2-pyridinyl)oxamide
SMILESCc1ccnc(NC(=O)C(=O)NC2=NCCS2)c1
InChIInChI=1S/C11H12N4O2S/c1-7-2-3-12-8(6-7)14-9(16)10(17)15-11-13-4-5-18-11/h2-3,6H,4-5H2,1H3,(H,12,14,16)(H,13,15,17)
InChIKeyNXHUBOAPIHDJCW-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.55
Rot. Bonds1

About N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(4-methyl-2-pyridinyl)oxamide

N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(4-methyl-2-pyridinyl)oxamide (PubChem CID 108530798) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(4-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(4-methyl-2-pyridinyl)oxamide
PubChem CID108530798
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(4-methyl-2-pyridinyl)oxamide
SMILESCc1ccnc(NC(=O)C(=O)NC2=NCCS2)c1
InChIInChI=1S/C11H12N4O2S/c1-7-2-3-12-8(6-7)14-9(16)10(17)15-11-13-4-5-18-11/h2-3,6H,4-5H2,1H3,(H,12,14,16)(H,13,15,17)
InChIKeyNXHUBOAPIHDJCW-UHFFFAOYSA-N
XLogP0.55
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.55
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'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(4-methyl-2-pyridinyl)oxamide?
The IUPAC name of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(4-methyl-2-pyridinyl)oxamide (CID 108530798) is N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(4-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(4-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(4-methyl-2-pyridinyl)oxamide is Cc1ccnc(NC(=O)C(=O)NC2=NCCS2)c1.
What is the InChIKey of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(4-methyl-2-pyridinyl)oxamide?
The InChIKey is NXHUBOAPIHDJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7-2-3-12-8(6-7)14-9(16)10(17)15-11-13-4-5-18-11/h2-3,6H,4-5H2,1H3,(H,12,14,16)(H,13,15,17).
What are the key properties of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(4-methyl-2-pyridinyl)oxamide?
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(4-methyl-2-pyridinyl)oxamide has a molecular weight of 264.31 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(4-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 108530798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).