6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile

C17H13N5OS — CID 123186441

IUPAC6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile
SMILESCC(=NOc1ccc(C#N)cn1)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C17H13N5OS/c1-11-16(24-17(21-11)14-4-3-7-19-10-14)12(2)22-23-15-6-5-13(8-18)9-20-15/h3-7,9-10H,1-2H3
InChIKeyRQLAFYMGIATDRC-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.58
Rot. Bonds4

About 6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile

6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile (PubChem CID 123186441) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is 6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile
PubChem CID123186441
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC Name6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile
SMILESCC(=NOc1ccc(C#N)cn1)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C17H13N5OS/c1-11-16(24-17(21-11)14-4-3-7-19-10-14)12(2)22-23-15-6-5-13(8-18)9-20-15/h3-7,9-10H,1-2H3
InChIKeyRQLAFYMGIATDRC-UHFFFAOYSA-N
XLogP3.58
TPSA84.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine
CID 90440045
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine
CID 123482726
N-(4-chloro-6-methylpyrimidin-2-yl)oxy-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine
CID 123527684
6-ethoxy-2-[(E)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyrimidine-4,5-diamine
CID 89348710
6-methyl-2-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxy-5-nitropyrimidin-4-amine
CID 123399208
N-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline
CID 49309458
N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 131732978
6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]pyridine-3-carbonitrile
CID 68884597
6-(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-methylpyridine-3-carbonitrile
CID 123957892
4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 58236230
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 127050732

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile (CID 123186441) is 6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile is CC(=NOc1ccc(C#N)cn1)c1sc(-c2cccnc2)nc1C.
What is the InChIKey of 6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile?
The InChIKey is RQLAFYMGIATDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c1-11-16(24-17(21-11)14-4-3-7-19-10-14)12(2)22-23-15-6-5-13(8-18)9-20-15/h3-7,9-10H,1-2H3.
What are the key properties of 6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile?
6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile has a molecular weight of 335.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile is sourced from PubChem (CID 123186441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).