(E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenylmethoxymethanimine

C22H18N2OS2 — CID 10110987

IUPAC(E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenylmethoxymethanimine
SMILESCc1ccc(Sc2cncc3sc(/C=N/OCc4ccccc4)cc23)cc1
InChIInChI=1S/C22H18N2OS2/c1-16-7-9-18(10-8-16)26-21-13-23-14-22-20(21)11-19(27-22)12-24-25-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3/b24-12+
InChIKeyKWCKGBDQLUCVPZ-WYMPLXKRSA-N
MW390.53 g/mol
LogP6.31
Rot. Bonds6

About (E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenylmethoxymethanimine

(E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenylmethoxymethanimine (PubChem CID 10110987) has the molecular formula C22H18N2OS2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name(E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenylmethoxymethanimine
PubChem CID10110987
Molecular FormulaC22H18N2OS2
Molecular Weight390.53 g/mol
Exact Mass390.09
IUPAC Name(E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenylmethoxymethanimine
SMILESCc1ccc(Sc2cncc3sc(/C=N/OCc4ccccc4)cc23)cc1
InChIInChI=1S/C22H18N2OS2/c1-16-7-9-18(10-8-16)26-21-13-23-14-22-20(21)11-19(27-22)12-24-25-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3/b24-12+
InChIKeyKWCKGBDQLUCVPZ-WYMPLXKRSA-N
XLogP6.31
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenylmethoxymethanimine?
The IUPAC name of (E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenylmethoxymethanimine (CID 10110987) is (E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenylmethoxymethanimine.
What is the SMILES notation for (E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenylmethoxymethanimine?
The canonical SMILES for (E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenylmethoxymethanimine is Cc1ccc(Sc2cncc3sc(/C=N/OCc4ccccc4)cc23)cc1.
What is the InChIKey of (E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenylmethoxymethanimine?
The InChIKey is KWCKGBDQLUCVPZ-WYMPLXKRSA-N. The full InChI is InChI=1S/C22H18N2OS2/c1-16-7-9-18(10-8-16)26-21-13-23-14-22-20(21)11-19(27-22)12-24-25-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3/b24-12+.
What are the key properties of (E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenylmethoxymethanimine?
(E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenylmethoxymethanimine has a molecular weight of 390.53 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenylmethoxymethanimine is sourced from PubChem (CID 10110987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).