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

C21H16N2OS2 — CID 10134148

IUPAC(E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenoxymethanimine
SMILESCc1ccc(Sc2cncc3sc(/C=N/Oc4ccccc4)cc23)cc1
InChIInChI=1S/C21H16N2OS2/c1-15-7-9-17(10-8-15)25-20-13-22-14-21-19(20)11-18(26-21)12-23-24-16-5-3-2-4-6-16/h2-14H,1H3/b23-12+
InChIKeySUTIBAVFDUBAHK-FSJBWODESA-N
MW376.51 g/mol
LogP6.17
Rot. Bonds5

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

(E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenoxymethanimine (PubChem CID 10134148) has the molecular formula C21H16N2OS2 and a molecular weight of 376.51 g/mol. Its IUPAC name is (E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenoxymethanimine.

Molecular Properties

Compound Name(E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenoxymethanimine
PubChem CID10134148
Molecular FormulaC21H16N2OS2
Molecular Weight376.51 g/mol
Exact Mass376.07
IUPAC Name(E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenoxymethanimine
SMILESCc1ccc(Sc2cncc3sc(/C=N/Oc4ccccc4)cc23)cc1
InChIInChI=1S/C21H16N2OS2/c1-15-7-9-17(10-8-15)25-20-13-22-14-21-19(20)11-18(26-21)12-23-24-16-5-3-2-4-6-16/h2-14H,1H3/b23-12+
InChIKeySUTIBAVFDUBAHK-FSJBWODESA-N
XLogP6.17
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.51
LogP ≤ 56.17
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-phenoxymethanimine?
The IUPAC name of (E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenoxymethanimine (CID 10134148) is (E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenoxymethanimine.
What is the SMILES notation for (E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenoxymethanimine?
The canonical SMILES for (E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenoxymethanimine is Cc1ccc(Sc2cncc3sc(/C=N/Oc4ccccc4)cc23)cc1.
What is the InChIKey of (E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenoxymethanimine?
The InChIKey is SUTIBAVFDUBAHK-FSJBWODESA-N. The full InChI is InChI=1S/C21H16N2OS2/c1-15-7-9-17(10-8-15)25-20-13-22-14-21-19(20)11-18(26-21)12-23-24-16-5-3-2-4-6-16/h2-14H,1H3/b23-12+.
What are the key properties of (E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenoxymethanimine?
(E)-1-[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]-N-phenoxymethanimine has a molecular weight of 376.51 g/mol, XLogP of 6.17, 5 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-phenoxymethanimine is sourced from PubChem (CID 10134148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).