(NZ)-N-[5-[(2-phenylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

C22H17N3OS — CID 53321844

IUPAC(NZ)-N-[5-[(2-phenylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1/CCc2cc(Nc3c(-c4ccccc4)sc4cnccc34)ccc21
InChIInChI=1S/C22H17N3OS/c26-25-19-9-6-15-12-16(7-8-17(15)19)24-21-18-10-11-23-13-20(18)27-22(21)14-4-2-1-3-5-14/h1-5,7-8,10-13,24,26H,6,9H2/b25-19-
InChIKeyUBWMJAQWDSWJJT-PLRJNAJWSA-N
MW371.47 g/mol
LogP5.83
Rot. Bonds3

About (NZ)-N-[5-[(2-phenylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

(NZ)-N-[5-[(2-phenylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 53321844) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is (NZ)-N-[5-[(2-phenylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[5-[(2-phenylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID53321844
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC Name(NZ)-N-[5-[(2-phenylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1/CCc2cc(Nc3c(-c4ccccc4)sc4cnccc34)ccc21
InChIInChI=1S/C22H17N3OS/c26-25-19-9-6-15-12-16(7-8-17(15)19)24-21-18-10-11-23-13-20(18)27-22(21)14-4-2-1-3-5-14/h1-5,7-8,10-13,24,26H,6,9H2/b25-19-
InChIKeyUBWMJAQWDSWJJT-PLRJNAJWSA-N
XLogP5.83
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.47
LogP ≤ 55.83
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 (NZ)-N-[5-[(2-phenylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[5-[(2-phenylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 53321844) is (NZ)-N-[5-[(2-phenylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[5-[(2-phenylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[5-[(2-phenylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is O/N=C1/CCc2cc(Nc3c(-c4ccccc4)sc4cnccc34)ccc21.
What is the InChIKey of (NZ)-N-[5-[(2-phenylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is UBWMJAQWDSWJJT-PLRJNAJWSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-25-19-9-6-15-12-16(7-8-17(15)19)24-21-18-10-11-23-13-20(18)27-22(21)14-4-2-1-3-5-14/h1-5,7-8,10-13,24,26H,6,9H2/b25-19-.
What are the key properties of (NZ)-N-[5-[(2-phenylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NZ)-N-[5-[(2-phenylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 371.47 g/mol, XLogP of 5.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[5-[(2-phenylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 53321844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).