oxido-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)azanium

C9H7N3O2S — CID 88725894

IUPACoxido-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)azanium
SMILESO=C([NH2+][O-])c1csc(-c2ccncc2)n1
InChIInChI=1S/C9H7N3O2S/c13-8(12-14)7-5-15-9(11-7)6-1-3-10-4-2-6/h1-5H,12H2
InChIKeyHQXWCZLPXFXOCQ-UHFFFAOYSA-N
MW221.24 g/mol
LogP0.41
Rot. Bonds2

About oxido-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)azanium

oxido-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)azanium (PubChem CID 88725894) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is oxido-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)azanium.

Molecular Properties

Compound Nameoxido-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)azanium
PubChem CID88725894
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Nameoxido-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)azanium
SMILESO=C([NH2+][O-])c1csc(-c2ccncc2)n1
InChIInChI=1S/C9H7N3O2S/c13-8(12-14)7-5-15-9(11-7)6-1-3-10-4-2-6/h1-5H,12H2
InChIKeyHQXWCZLPXFXOCQ-UHFFFAOYSA-N
XLogP0.41
TPSA82.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 88725895
2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 6933840
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006
N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 53032327
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110651485
bis(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 175265157
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110409324
N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 39471735
N-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 166298535
(2-pyridin-4-yl-1,3-thiazol-4-yl)methanediol
CID 134369302
2-(4-methoxyphenyl)-N-[3-(pyridine-4-carbonylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 39186590

Frequently Asked Questions

What is the IUPAC name of oxido-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)azanium?
The IUPAC name of oxido-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)azanium (CID 88725894) is oxido-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)azanium.
What is the SMILES notation for oxido-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)azanium?
The canonical SMILES for oxido-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)azanium is O=C([NH2+][O-])c1csc(-c2ccncc2)n1.
What is the InChIKey of oxido-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)azanium?
The InChIKey is HQXWCZLPXFXOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c13-8(12-14)7-5-15-9(11-7)6-1-3-10-4-2-6/h1-5H,12H2.
What are the key properties of oxido-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)azanium?
oxido-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)azanium has a molecular weight of 221.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)azanium is sourced from PubChem (CID 88725894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).