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

C18H17N3OS — CID 141171254

IUPACN-[5-[(2-ethylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCCc1sc2cnccc2c1Nc1ccc2c(c1)CCC2=NO
InChIInChI=1S/C18H17N3OS/c1-2-16-18(14-7-8-19-10-17(14)23-16)20-12-4-5-13-11(9-12)3-6-15(13)21-22/h4-5,7-10,20,22H,2-3,6H2,1H3
InChIKeyOYANKCLMDVAWOP-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.73
Rot. Bonds3

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

N-[5-[(2-ethylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 141171254) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[5-[(2-ethylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-[(2-ethylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID141171254
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-[5-[(2-ethylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCCc1sc2cnccc2c1Nc1ccc2c(c1)CCC2=NO
InChIInChI=1S/C18H17N3OS/c1-2-16-18(14-7-8-19-10-17(14)23-16)20-12-4-5-13-11(9-12)3-6-15(13)21-22/h4-5,7-10,20,22H,2-3,6H2,1H3
InChIKeyOYANKCLMDVAWOP-UHFFFAOYSA-N
XLogP4.73
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.73
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 N-[5-[(2-ethylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of N-[5-[(2-ethylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 141171254) is N-[5-[(2-ethylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-[(2-ethylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for N-[5-[(2-ethylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is CCc1sc2cnccc2c1Nc1ccc2c(c1)CCC2=NO.
What is the InChIKey of N-[5-[(2-ethylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is OYANKCLMDVAWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-2-16-18(14-7-8-19-10-17(14)23-16)20-12-4-5-13-11(9-12)3-6-15(13)21-22/h4-5,7-10,20,22H,2-3,6H2,1H3.
What are the key properties of N-[5-[(2-ethylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
N-[5-[(2-ethylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 323.42 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-ethylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 141171254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).