(NE)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine

C16H13N3OS — CID 141171263

IUPAC(NE)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1\CCc2cc(Nc3csc4cnccc34)ccc21
InChIInChI=1S/C16H13N3OS/c20-19-14-4-1-10-7-11(2-3-12(10)14)18-15-9-21-16-8-17-6-5-13(15)16/h2-3,5-9,18,20H,1,4H2/b19-14+
InChIKeyPDNSFVIFLKDFNW-XMHGGMMESA-N
MW295.37 g/mol
LogP4.16
Rot. Bonds2

About (NE)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine

(NE)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 141171263) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is (NE)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID141171263
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name(NE)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1\CCc2cc(Nc3csc4cnccc34)ccc21
InChIInChI=1S/C16H13N3OS/c20-19-14-4-1-10-7-11(2-3-12(10)14)18-15-9-21-16-8-17-6-5-13(15)16/h2-3,5-9,18,20H,1,4H2/b19-14+
InChIKeyPDNSFVIFLKDFNW-XMHGGMMESA-N
XLogP4.16
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.16
H-Bond Donors ≤ 52
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-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 141171263) is (NE)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine is O/N=C1\CCc2cc(Nc3csc4cnccc34)ccc21.
What is the InChIKey of (NE)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is PDNSFVIFLKDFNW-XMHGGMMESA-N. The full InChI is InChI=1S/C16H13N3OS/c20-19-14-4-1-10-7-11(2-3-12(10)14)18-15-9-21-16-8-17-6-5-13(15)16/h2-3,5-9,18,20H,1,4H2/b19-14+.
What are the key properties of (NE)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NE)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 295.37 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 141171263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).