N-(4-chloro-6-methylpyrimidin-2-yl)oxy-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine

C16H14ClN5OS — CID 123527684

IUPACN-(4-chloro-6-methylpyrimidin-2-yl)oxy-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine
SMILESCC(=NOc1nc(C)cc(Cl)n1)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C16H14ClN5OS/c1-9-7-13(17)21-16(19-9)23-22-11(3)14-10(2)20-15(24-14)12-5-4-6-18-8-12/h4-8H,1-3H3
InChIKeyFKBPUROZAPCTTA-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.07
Rot. Bonds4

About N-(4-chloro-6-methylpyrimidin-2-yl)oxy-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine

N-(4-chloro-6-methylpyrimidin-2-yl)oxy-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine (PubChem CID 123527684) has the molecular formula C16H14ClN5OS and a molecular weight of 359.84 g/mol. Its IUPAC name is N-(4-chloro-6-methylpyrimidin-2-yl)oxy-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine.

Molecular Properties

Compound NameN-(4-chloro-6-methylpyrimidin-2-yl)oxy-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine
PubChem CID123527684
Molecular FormulaC16H14ClN5OS
Molecular Weight359.84 g/mol
Exact Mass359.06
IUPAC NameN-(4-chloro-6-methylpyrimidin-2-yl)oxy-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine
SMILESCC(=NOc1nc(C)cc(Cl)n1)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C16H14ClN5OS/c1-9-7-13(17)21-16(19-9)23-22-11(3)14-10(2)20-15(24-14)12-5-4-6-18-8-12/h4-8H,1-3H3
InChIKeyFKBPUROZAPCTTA-UHFFFAOYSA-N
XLogP4.07
TPSA73.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.07
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
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
6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile
CID 123186441
1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(4,6-dimethoxypyrimidin-2-yl)oxy-2,2,2-trifluoroethanimine
CID 123774821
N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 131732978
4-chloro-6-methyl-2-pyridin-3-yloxypyrimidine
CID 134341161
N-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline
CID 49309458
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
N-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 100801716

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methylpyrimidin-2-yl)oxy-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine?
The IUPAC name of N-(4-chloro-6-methylpyrimidin-2-yl)oxy-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine (CID 123527684) is N-(4-chloro-6-methylpyrimidin-2-yl)oxy-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine.
What is the SMILES notation for N-(4-chloro-6-methylpyrimidin-2-yl)oxy-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine?
The canonical SMILES for N-(4-chloro-6-methylpyrimidin-2-yl)oxy-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine is CC(=NOc1nc(C)cc(Cl)n1)c1sc(-c2cccnc2)nc1C.
What is the InChIKey of N-(4-chloro-6-methylpyrimidin-2-yl)oxy-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine?
The InChIKey is FKBPUROZAPCTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5OS/c1-9-7-13(17)21-16(19-9)23-22-11(3)14-10(2)20-15(24-14)12-5-4-6-18-8-12/h4-8H,1-3H3.
What are the key properties of N-(4-chloro-6-methylpyrimidin-2-yl)oxy-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine?
N-(4-chloro-6-methylpyrimidin-2-yl)oxy-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine has a molecular weight of 359.84 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methylpyrimidin-2-yl)oxy-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine is sourced from PubChem (CID 123527684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).