(E)-N-methoxy-1-(4-methylthiadiazol-5-yl)ethanimine;1-(4-methylthiadiazol-5-yl)ethanone

C11H15N5O2S2 — CID 172952600

IUPAC(E)-N-methoxy-1-(4-methylthiadiazol-5-yl)ethanimine;1-(4-methylthiadiazol-5-yl)ethanone
SMILESCC(=O)c1snnc1C.CO/N=C(\C)c1snnc1C
InChIInChI=1S/C6H9N3OS.C5H6N2OS/c1-4-6(11-9-7-4)5(2)8-10-3;1-3-5(4(2)8)9-7-6-3/h1-3H3;1-2H3/b8-5+;
InChIKeyQVWSKHCMIIPXFO-HAAWTFQLSA-N
MW313.41 g/mol
LogP2.27
Rot. Bonds3

About (E)-N-methoxy-1-(4-methylthiadiazol-5-yl)ethanimine;1-(4-methylthiadiazol-5-yl)ethanone

(E)-N-methoxy-1-(4-methylthiadiazol-5-yl)ethanimine;1-(4-methylthiadiazol-5-yl)ethanone (PubChem CID 172952600) has the molecular formula C11H15N5O2S2 and a molecular weight of 313.41 g/mol. Its IUPAC name is (E)-N-methoxy-1-(4-methylthiadiazol-5-yl)ethanimine;1-(4-methylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name(E)-N-methoxy-1-(4-methylthiadiazol-5-yl)ethanimine;1-(4-methylthiadiazol-5-yl)ethanone
PubChem CID172952600
Molecular FormulaC11H15N5O2S2
Molecular Weight313.41 g/mol
Exact Mass313.07
IUPAC Name(E)-N-methoxy-1-(4-methylthiadiazol-5-yl)ethanimine;1-(4-methylthiadiazol-5-yl)ethanone
SMILESCC(=O)c1snnc1C.CO/N=C(\C)c1snnc1C
InChIInChI=1S/C6H9N3OS.C5H6N2OS/c1-4-6(11-9-7-4)5(2)8-10-3;1-3-5(4(2)8)9-7-6-3/h1-3H3;1-2H3/b8-5+;
InChIKeyQVWSKHCMIIPXFO-HAAWTFQLSA-N
XLogP2.27
TPSA90.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-methylthiadiazole-5-carboxylic acid;1-(4-methylthiadiazol-5-yl)ethanone
CID 91578919
2-bromo-1-(4-methylthiadiazol-5-yl)ethanone;hydrobromide
CID 23003557
N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide
CID 7576719
4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide
CID 176908653
1-(4-methylthiadiazol-5-yl)prop-2-yn-1-one
CID 105108161
N-cyano-4-methylthiadiazole-5-carboxamide
CID 79195320
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
4-methylthiadiazole-5-carbonyl chloride;4-(4-methylthiadiazole-5-carbonyl)oxybut-2-ynyl 4-methylthiadiazole-5-carboxylate
CID 157407185
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiadiazole-5-carboxamide
CID 83101329
(3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate
CID 7576962
pyridin-3-yl 4-methylthiadiazole-5-carboxylate
CID 3294080
2-(dipropylamino)ethyl 4-methylthiadiazole-5-carboxylate
CID 20701446

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-(4-methylthiadiazol-5-yl)ethanimine;1-(4-methylthiadiazol-5-yl)ethanone?
The IUPAC name of (E)-N-methoxy-1-(4-methylthiadiazol-5-yl)ethanimine;1-(4-methylthiadiazol-5-yl)ethanone (CID 172952600) is (E)-N-methoxy-1-(4-methylthiadiazol-5-yl)ethanimine;1-(4-methylthiadiazol-5-yl)ethanone.
What is the SMILES notation for (E)-N-methoxy-1-(4-methylthiadiazol-5-yl)ethanimine;1-(4-methylthiadiazol-5-yl)ethanone?
The canonical SMILES for (E)-N-methoxy-1-(4-methylthiadiazol-5-yl)ethanimine;1-(4-methylthiadiazol-5-yl)ethanone is CC(=O)c1snnc1C.CO/N=C(\C)c1snnc1C.
What is the InChIKey of (E)-N-methoxy-1-(4-methylthiadiazol-5-yl)ethanimine;1-(4-methylthiadiazol-5-yl)ethanone?
The InChIKey is QVWSKHCMIIPXFO-HAAWTFQLSA-N. The full InChI is InChI=1S/C6H9N3OS.C5H6N2OS/c1-4-6(11-9-7-4)5(2)8-10-3;1-3-5(4(2)8)9-7-6-3/h1-3H3;1-2H3/b8-5+;.
What are the key properties of (E)-N-methoxy-1-(4-methylthiadiazol-5-yl)ethanimine;1-(4-methylthiadiazol-5-yl)ethanone?
(E)-N-methoxy-1-(4-methylthiadiazol-5-yl)ethanimine;1-(4-methylthiadiazol-5-yl)ethanone has a molecular weight of 313.41 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-(4-methylthiadiazol-5-yl)ethanimine;1-(4-methylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 172952600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).