N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiophene-2-carboxamide

C16H12N2O2S — CID 135411337

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1cccs1
InChIInChI=1S/C16H12N2O2S/c19-14-8-7-11-4-1-2-5-12(11)13(14)10-17-18-16(20)15-6-3-9-21-15/h1-10,19H,(H,18,20)/b17-10+
InChIKeyGDIIDJFJQPVPOO-LICLKQGHSA-N
MW296.35 g/mol
LogP3.37
Rot. Bonds3

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiophene-2-carboxamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiophene-2-carboxamide (PubChem CID 135411337) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiophene-2-carboxamide
PubChem CID135411337
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1cccs1
InChIInChI=1S/C16H12N2O2S/c19-14-8-7-11-4-1-2-5-12(11)13(14)10-17-18-16(20)15-6-3-9-21-15/h1-10,19H,(H,18,20)/b17-10+
InChIKeyGDIIDJFJQPVPOO-LICLKQGHSA-N
XLogP3.37
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_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-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiophene-2-carboxamide (CID 135411337) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiophene-2-carboxamide is O=C(N/N=C/c1c(O)ccc2ccccc12)c1cccs1.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is GDIIDJFJQPVPOO-LICLKQGHSA-N. The full InChI is InChI=1S/C16H12N2O2S/c19-14-8-7-11-4-1-2-5-12(11)13(14)10-17-18-16(20)15-6-3-9-21-15/h1-10,19H,(H,18,20)/b17-10+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiophene-2-carboxamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 135411337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).