potassium hydroxy-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanolate

C9H7KN2O2S — CID 131132164

IUPACpotassium hydroxy-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanolate
SMILES[K+].[O-]C(O)c1cnc(-c2ccccn2)s1
InChIInChI=1S/C9H7N2O2S.K/c12-9(13)7-5-11-8(14-7)6-3-1-2-4-10-6;/h1-5,9,12H;/q-1;+1
InChIKeyPUPKYAYCBMQLEI-UHFFFAOYSA-N
MW246.33 g/mol
LogP-2.44
Rot. Bonds2

About potassium hydroxy-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanolate

potassium hydroxy-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanolate (PubChem CID 131132164) has the molecular formula C9H7KN2O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is potassium hydroxy-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanolate.

Molecular Properties

Compound Namepotassium hydroxy-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanolate
PubChem CID131132164
Molecular FormulaC9H7KN2O2S
Molecular Weight246.33 g/mol
Exact Mass245.99
IUPAC Namepotassium hydroxy-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanolate
SMILES[K+].[O-]C(O)c1cnc(-c2ccccn2)s1
InChIInChI=1S/C9H7N2O2S.K/c12-9(13)7-5-11-8(14-7)6-3-1-2-4-10-6;/h1-5,9,12H;/q-1;+1
InChIKeyPUPKYAYCBMQLEI-UHFFFAOYSA-N
XLogP-2.44
TPSA69.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-2.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze potassium hydroxy-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-2-yl-1,3-thiazole-5-carbonitrile
CID 82422608
1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one
CID 115091334
[1-[1-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]piperidin-4-yl]methanamine;trihydrochloride
CID 66990824
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 55070550
[1-[cyano-(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylcarbamic acid
CID 90338840
1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol
CID 111974591
N-methyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82422630
5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole
CID 126697357
5-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 71226275
5-pyridin-2-yl-2-quinolin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 102047638
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267

Frequently Asked Questions

What is the IUPAC name of potassium hydroxy-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanolate?
The IUPAC name of potassium hydroxy-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanolate (CID 131132164) is potassium hydroxy-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanolate.
What is the SMILES notation for potassium hydroxy-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanolate?
The canonical SMILES for potassium hydroxy-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanolate is [K+].[O-]C(O)c1cnc(-c2ccccn2)s1.
What is the InChIKey of potassium hydroxy-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanolate?
The InChIKey is PUPKYAYCBMQLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N2O2S.K/c12-9(13)7-5-11-8(14-7)6-3-1-2-4-10-6;/h1-5,9,12H;/q-1;+1.
What are the key properties of potassium hydroxy-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanolate?
potassium hydroxy-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanolate has a molecular weight of 246.33 g/mol, XLogP of -2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium hydroxy-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanolate is sourced from PubChem (CID 131132164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).