(NE)-N-[[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]methylidene]hydroxylamine

C15H12N2OS2 — CID 135546412

IUPAC(NE)-N-[[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]methylidene]hydroxylamine
SMILESCc1ccc(Sc2cncc3sc(/C=N/O)cc23)cc1
InChIInChI=1S/C15H12N2OS2/c1-10-2-4-11(5-3-10)19-14-8-16-9-15-13(14)6-12(20-15)7-17-18/h2-9,18H,1H3/b17-7+
InChIKeyIKLIWVJJRPHCBK-REZTVBANSA-N
MW300.41 g/mol
LogP4.56
Rot. Bonds3

About (NE)-N-[[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]methylidene]hydroxylamine

(NE)-N-[[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]methylidene]hydroxylamine (PubChem CID 135546412) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is (NE)-N-[[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]methylidene]hydroxylamine
PubChem CID135546412
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC Name(NE)-N-[[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]methylidene]hydroxylamine
SMILESCc1ccc(Sc2cncc3sc(/C=N/O)cc23)cc1
InChIInChI=1S/C15H12N2OS2/c1-10-2-4-11(5-3-10)19-14-8-16-9-15-13(14)6-12(20-15)7-17-18/h2-9,18H,1H3/b17-7+
InChIKeyIKLIWVJJRPHCBK-REZTVBANSA-N
XLogP4.56
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (NE)-N-[[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]methylidene]hydroxylamine (CID 135546412) is (NE)-N-[[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]methylidene]hydroxylamine is Cc1ccc(Sc2cncc3sc(/C=N/O)cc23)cc1.
What is the InChIKey of (NE)-N-[[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]methylidene]hydroxylamine?
The InChIKey is IKLIWVJJRPHCBK-REZTVBANSA-N. The full InChI is InChI=1S/C15H12N2OS2/c1-10-2-4-11(5-3-10)19-14-8-16-9-15-13(14)6-12(20-15)7-17-18/h2-9,18H,1H3/b17-7+.
What are the key properties of (NE)-N-[[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]methylidene]hydroxylamine?
(NE)-N-[[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]methylidene]hydroxylamine has a molecular weight of 300.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridin-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 135546412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).