N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C9H6N3O2S- — CID 88725895

IUPACN-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(N[O-])c1csc(-c2ccncc2)n1
InChIInChI=1S/C9H6N3O2S/c13-8(12-14)7-5-15-9(11-7)6-1-3-10-4-2-6/h1-5H,(H-,10,11,12,13,14)/q-1
InChIKeyXSOZZJUBZUGDIV-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.43
Rot. Bonds2

About N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 88725895) has the molecular formula C9H6N3O2S- and a molecular weight of 220.23 g/mol. Its IUPAC name is N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID88725895
Molecular FormulaC9H6N3O2S-
Molecular Weight220.23 g/mol
Exact Mass220.02
IUPAC NameN-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(N[O-])c1csc(-c2ccncc2)n1
InChIInChI=1S/C9H6N3O2S/c13-8(12-14)7-5-15-9(11-7)6-1-3-10-4-2-6/h1-5H,(H-,10,11,12,13,14)/q-1
InChIKeyXSOZZJUBZUGDIV-UHFFFAOYSA-N
XLogP1.43
TPSA77.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.43
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

oxido-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)azanium
CID 88725894
N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 53032327
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110651485
N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 39471735
2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 121165498
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 23599504
N-hydroxy-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 604917
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110650167
N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110409324
2-(4-methoxyphenyl)-N-[3-(pyridine-4-carbonylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 39186590
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194

Frequently Asked Questions

What is the IUPAC name of N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 88725895) is N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is O=C(N[O-])c1csc(-c2ccncc2)n1.
What is the InChIKey of N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is XSOZZJUBZUGDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N3O2S/c13-8(12-14)7-5-15-9(11-7)6-1-3-10-4-2-6/h1-5H,(H-,10,11,12,13,14)/q-1.
What are the key properties of N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 88725895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).