1-[3-(4-methyl-1,2,5-thiadiazol-3-yl)-2-pyridinyl]-N-(pyridin-2-ylmethoxy)methanimine

C15H13N5OS — CID 73411085

IUPAC1-[3-(4-methyl-1,2,5-thiadiazol-3-yl)-2-pyridinyl]-N-(pyridin-2-ylmethoxy)methanimine
SMILESCc1nsnc1-c1cccnc1C=NOCc1ccccn1
InChIInChI=1S/C15H13N5OS/c1-11-15(20-22-19-11)13-6-4-8-17-14(13)9-18-21-10-12-5-2-3-7-16-12/h2-9H,10H2,1H3
InChIKeyZFOBGAIZTSEYLF-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.85
Rot. Bonds5

About 1-[3-(4-methyl-1,2,5-thiadiazol-3-yl)-2-pyridinyl]-N-(pyridin-2-ylmethoxy)methanimine

1-[3-(4-methyl-1,2,5-thiadiazol-3-yl)-2-pyridinyl]-N-(pyridin-2-ylmethoxy)methanimine (PubChem CID 73411085) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 1-[3-(4-methyl-1,2,5-thiadiazol-3-yl)-2-pyridinyl]-N-(pyridin-2-ylmethoxy)methanimine.

Molecular Properties

Compound Name1-[3-(4-methyl-1,2,5-thiadiazol-3-yl)-2-pyridinyl]-N-(pyridin-2-ylmethoxy)methanimine
PubChem CID73411085
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name1-[3-(4-methyl-1,2,5-thiadiazol-3-yl)-2-pyridinyl]-N-(pyridin-2-ylmethoxy)methanimine
SMILESCc1nsnc1-c1cccnc1C=NOCc1ccccn1
InChIInChI=1S/C15H13N5OS/c1-11-15(20-22-19-11)13-6-4-8-17-14(13)9-18-21-10-12-5-2-3-7-16-12/h2-9H,10H2,1H3
InChIKeyZFOBGAIZTSEYLF-UHFFFAOYSA-N
XLogP2.85
TPSA73.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.85
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-(pyridin-2-ylmethoxy)propan-1-imine
CID 88538998
2-[(E)-ethoxyiminomethyl]pyridin-3-ol
CID 137274276
5-fluoro-1,3-dimethyl-N-[2-[4-[(E)-pyridin-2-ylmethoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide
CID 23593921
2-(1,1-difluoroethoxymethyl)pyridine
CID 68641957
2-prop-2-enylpyridine
CID 3015241
2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine
CID 91037930
N-(pyridin-2-ylmethoxy)cyclobutanimine
CID 130676027
pyridin-2-ylmethyl hypoiodite
CID 67567753
N-(pyridin-2-ylmethoxy)methanamine
CID 58351102
6-[(E)-pyridin-2-ylmethoxyiminomethyl]-3-quinolin-2-yl-1H-indol-2-ol
CID 135992054
2-ethylpyridine;2-methylpyridine
CID 19020939
2-methyl-3-(4-phenylphenyl)pyridine
CID 90167639

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-1,2,5-thiadiazol-3-yl)-2-pyridinyl]-N-(pyridin-2-ylmethoxy)methanimine?
The IUPAC name of 1-[3-(4-methyl-1,2,5-thiadiazol-3-yl)-2-pyridinyl]-N-(pyridin-2-ylmethoxy)methanimine (CID 73411085) is 1-[3-(4-methyl-1,2,5-thiadiazol-3-yl)-2-pyridinyl]-N-(pyridin-2-ylmethoxy)methanimine.
What is the SMILES notation for 1-[3-(4-methyl-1,2,5-thiadiazol-3-yl)-2-pyridinyl]-N-(pyridin-2-ylmethoxy)methanimine?
The canonical SMILES for 1-[3-(4-methyl-1,2,5-thiadiazol-3-yl)-2-pyridinyl]-N-(pyridin-2-ylmethoxy)methanimine is Cc1nsnc1-c1cccnc1C=NOCc1ccccn1.
What is the InChIKey of 1-[3-(4-methyl-1,2,5-thiadiazol-3-yl)-2-pyridinyl]-N-(pyridin-2-ylmethoxy)methanimine?
The InChIKey is ZFOBGAIZTSEYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-11-15(20-22-19-11)13-6-4-8-17-14(13)9-18-21-10-12-5-2-3-7-16-12/h2-9H,10H2,1H3.
What are the key properties of 1-[3-(4-methyl-1,2,5-thiadiazol-3-yl)-2-pyridinyl]-N-(pyridin-2-ylmethoxy)methanimine?
1-[3-(4-methyl-1,2,5-thiadiazol-3-yl)-2-pyridinyl]-N-(pyridin-2-ylmethoxy)methanimine has a molecular weight of 311.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-1,2,5-thiadiazol-3-yl)-2-pyridinyl]-N-(pyridin-2-ylmethoxy)methanimine is sourced from PubChem (CID 73411085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).