(NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine

C16H10N2O2S — CID 136503386

IUPAC(NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine
SMILESO/N=c1\cc(-c2cc3ccsc3cn2)oc2ccccc12
InChIInChI=1S/C16H10N2O2S/c19-18-12-8-15(20-14-4-2-1-3-11(12)14)13-7-10-5-6-21-16(10)9-17-13/h1-9,19H/b18-12+
InChIKeyXZJOHJLRBAQIDO-LDADJPATSA-N
MW294.34 g/mol
LogP4.00
Rot. Bonds1

About (NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine

(NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine (PubChem CID 136503386) has the molecular formula C16H10N2O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is (NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine
PubChem CID136503386
Molecular FormulaC16H10N2O2S
Molecular Weight294.34 g/mol
Exact Mass294.05
IUPAC Name(NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine
SMILESO/N=c1\cc(-c2cc3ccsc3cn2)oc2ccccc12
InChIInChI=1S/C16H10N2O2S/c19-18-12-8-15(20-14-4-2-1-3-11(12)14)13-7-10-5-6-21-16(10)9-17-13/h1-9,19H/b18-12+
InChIKeyXZJOHJLRBAQIDO-LDADJPATSA-N
XLogP4.00
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine (CID 136503386) is (NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine is O/N=c1\cc(-c2cc3ccsc3cn2)oc2ccccc12.
What is the InChIKey of (NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine?
The InChIKey is XZJOHJLRBAQIDO-LDADJPATSA-N. The full InChI is InChI=1S/C16H10N2O2S/c19-18-12-8-15(20-14-4-2-1-3-11(12)14)13-7-10-5-6-21-16(10)9-17-13/h1-9,19H/b18-12+.
What are the key properties of (NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine?
(NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine has a molecular weight of 294.34 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine is sourced from PubChem (CID 136503386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).