6-ethoxy-2-[(E)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyrimidine-4,5-diamine

C17H19N7O2S — CID 89348710

IUPAC6-ethoxy-2-[(E)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyrimidine-4,5-diamine
SMILESCCOc1nc(O/N=C(\C)c2sc(-c3cccnc3)nc2C)nc(N)c1N
InChIInChI=1S/C17H19N7O2S/c1-4-25-15-12(18)14(19)22-17(23-15)26-24-10(3)13-9(2)21-16(27-13)11-6-5-7-20-8-11/h5-8H,4,18H2,1-3H3,(H2,19,22,23)/b24-10+
InChIKeyTYQSYJWSOKIGEO-YSURURNPSA-N
MW385.45 g/mol
LogP2.67
Rot. Bonds6

About 6-ethoxy-2-[(E)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyrimidine-4,5-diamine

6-ethoxy-2-[(E)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyrimidine-4,5-diamine (PubChem CID 89348710) has the molecular formula C17H19N7O2S and a molecular weight of 385.45 g/mol. Its IUPAC name is 6-ethoxy-2-[(E)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-[(E)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyrimidine-4,5-diamine
PubChem CID89348710
Molecular FormulaC17H19N7O2S
Molecular Weight385.45 g/mol
Exact Mass385.13
IUPAC Name6-ethoxy-2-[(E)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyrimidine-4,5-diamine
SMILESCCOc1nc(O/N=C(\C)c2sc(-c3cccnc3)nc2C)nc(N)c1N
InChIInChI=1S/C17H19N7O2S/c1-4-25-15-12(18)14(19)22-17(23-15)26-24-10(3)13-9(2)21-16(27-13)11-6-5-7-20-8-11/h5-8H,4,18H2,1-3H3,(H2,19,22,23)/b24-10+
InChIKeyTYQSYJWSOKIGEO-YSURURNPSA-N
XLogP2.67
TPSA134.42 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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
6-methyl-2-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxy-5-nitropyrimidin-4-amine
CID 123399208
N-(4-chloro-6-methylpyrimidin-2-yl)oxy-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine
CID 123527684
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine
CID 123482726
6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile
CID 123186441
2-[1-[2-(3-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 171396657
4-methyl-N-[(2S)-pentan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 27261975
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
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
N-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline
CID 49309458
1-(4-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one
CID 118609209

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-[(E)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyrimidine-4,5-diamine?
The IUPAC name of 6-ethoxy-2-[(E)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyrimidine-4,5-diamine (CID 89348710) is 6-ethoxy-2-[(E)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyrimidine-4,5-diamine.
What is the SMILES notation for 6-ethoxy-2-[(E)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyrimidine-4,5-diamine?
The canonical SMILES for 6-ethoxy-2-[(E)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyrimidine-4,5-diamine is CCOc1nc(O/N=C(\C)c2sc(-c3cccnc3)nc2C)nc(N)c1N.
What is the InChIKey of 6-ethoxy-2-[(E)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyrimidine-4,5-diamine?
The InChIKey is TYQSYJWSOKIGEO-YSURURNPSA-N. The full InChI is InChI=1S/C17H19N7O2S/c1-4-25-15-12(18)14(19)22-17(23-15)26-24-10(3)13-9(2)21-16(27-13)11-6-5-7-20-8-11/h5-8H,4,18H2,1-3H3,(H2,19,22,23)/b24-10+.
What are the key properties of 6-ethoxy-2-[(E)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyrimidine-4,5-diamine?
6-ethoxy-2-[(E)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyrimidine-4,5-diamine has a molecular weight of 385.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-[(E)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyrimidine-4,5-diamine is sourced from PubChem (CID 89348710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).