2-(4-pyrimidin-2-ylpyridazin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C13H11N6OS+ — CID 164745559

IUPAC2-(4-pyrimidin-2-ylpyridazin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(C[n+]1ccc(-c2ncccn2)cn1)Nc1nccs1
InChIInChI=1S/C13H10N6OS/c20-11(18-13-16-5-7-21-13)9-19-6-2-10(8-17-19)12-14-3-1-4-15-12/h1-8H,9H2/p+1
InChIKeyZMTARJVHVSSDFR-UHFFFAOYSA-O
MW299.34 g/mol
LogP0.92
Rot. Bonds4

About 2-(4-pyrimidin-2-ylpyridazin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(4-pyrimidin-2-ylpyridazin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 164745559) has the molecular formula C13H11N6OS+ and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpyridazin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpyridazin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID164745559
Molecular FormulaC13H11N6OS+
Molecular Weight299.34 g/mol
Exact Mass299.07
IUPAC Name2-(4-pyrimidin-2-ylpyridazin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(C[n+]1ccc(-c2ncccn2)cn1)Nc1nccs1
InChIInChI=1S/C13H10N6OS/c20-11(18-13-16-5-7-21-13)9-19-6-2-10(8-17-19)12-14-3-1-4-15-12/h1-8H,9H2/p+1
InChIKeyZMTARJVHVSSDFR-UHFFFAOYSA-O
XLogP0.92
TPSA84.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[4-(1,3-thiazol-2-yl)pyridazin-1-ium-1-yl]acetyl]amino]acetic acid
CID 164732701
methyl 2-[4-(1,3-thiazol-2-yl)pyridazin-1-ium-1-yl]acetate
CID 156626139
2-(2-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 102584550
2-(4-pyridin-2-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 172559309
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110688880
3-[4-(1,3-thiazol-2-yl)pyridazin-1-ium-1-yl]propanoic acid
CID 139555007
2-(2-aminophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 16772949
2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide
CID 3158209
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 669868

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpyridazin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-pyrimidin-2-ylpyridazin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 164745559) is 2-(4-pyrimidin-2-ylpyridazin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpyridazin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-pyrimidin-2-ylpyridazin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(C[n+]1ccc(-c2ncccn2)cn1)Nc1nccs1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpyridazin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ZMTARJVHVSSDFR-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H10N6OS/c20-11(18-13-16-5-7-21-13)9-19-6-2-10(8-17-19)12-14-3-1-4-15-12/h1-8H,9H2/p+1.
What are the key properties of 2-(4-pyrimidin-2-ylpyridazin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(4-pyrimidin-2-ylpyridazin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 299.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpyridazin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 164745559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).