(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

C16H16N6O3S — CID 90440045

IUPAC(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
SMILESCOc1nc(OC)nc(O/N=C(\C)c2sc(-c3cccnc3)nc2C)n1
InChIInChI=1S/C16H16N6O3S/c1-9-12(26-13(18-9)11-6-5-7-17-8-11)10(2)22-25-16-20-14(23-3)19-15(21-16)24-4/h5-8H,1-4H3/b22-10+
InChIKeySPUCDAONRJXRBF-LSHDLFTRSA-N
MW372.41 g/mol
LogP2.52
Rot. Bonds6

About (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

(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 (PubChem CID 90440045) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID90440045
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC Name(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
SMILESCOc1nc(OC)nc(O/N=C(\C)c2sc(-c3cccnc3)nc2C)n1
InChIInChI=1S/C16H16N6O3S/c1-9-12(26-13(18-9)11-6-5-7-17-8-11)10(2)22-25-16-20-14(23-3)19-15(21-16)24-4/h5-8H,1-4H3/b22-10+
InChIKeySPUCDAONRJXRBF-LSHDLFTRSA-N
XLogP2.52
TPSA104.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
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

4-Pyridin-4-yl-2-pyrimidin-2-yl-1,3-thiazole
CID 145967693
4-(2-Phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole
CID 59252432
4-Pyridin-3-yl-2-pyrimidin-2-yl-1,3-thiazole
CID 145970456
2-(4-Butylphenyl)-4-methyl-5-(2-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazole
CID 127043104
2-[4-[2-(4-Butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]-1,1,3,3-tetramethylguanidine
CID 127045443
6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 47059462
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 50966757
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 50974641
4-Methyl-2-[2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole
CID 53626862
N'-methoxy-5-[2-[6-[(E)-N'-methoxycarbamimidoyl]-3-pyridinyl]-1,3-thiazol-5-yl]pyridine-2-carboximidamide;dihydrochloride
CID 90664679
N'-methoxy-6-[2-[5-[(E)-N'-methoxycarbamimidoyl]-2-pyridinyl]-1,3-thiazol-5-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90664813
2-Methyl-4-[(4-pyridin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methyl]-1,3-thiazole
CID 97516199

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1nc(OC)nc(O/N=C(\C)c2sc(-c3cccnc3)nc2C)n1.
What is the InChIKey of (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?
The InChIKey is SPUCDAONRJXRBF-LSHDLFTRSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-9-12(26-13(18-9)11-6-5-7-17-8-11)10(2)22-25-16-20-14(23-3)19-15(21-16)24-4/h5-8H,1-4H3/b22-10+.
What are the key properties of (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?
(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 has a molecular weight of 372.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 90440045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).