N-[(E)-2,3-dihydroinden-1-ylideneamino]thiophene-2-carboxamide

C14H12N2OS — CID 6091352

IUPACN-[(E)-2,3-dihydroinden-1-ylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C1\CCc2ccccc21)c1cccs1
InChIInChI=1S/C14H12N2OS/c17-14(13-6-3-9-18-13)16-15-12-8-7-10-4-1-2-5-11(10)12/h1-6,9H,7-8H2,(H,16,17)/b15-12+
InChIKeyTXNOVNIRHMPBAE-NTCAYCPXSA-N
MW256.33 g/mol
LogP2.83
Rot. Bonds2

About N-[(E)-2,3-dihydroinden-1-ylideneamino]thiophene-2-carboxamide

N-[(E)-2,3-dihydroinden-1-ylideneamino]thiophene-2-carboxamide (PubChem CID 6091352) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[(E)-2,3-dihydroinden-1-ylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-2,3-dihydroinden-1-ylideneamino]thiophene-2-carboxamide
PubChem CID6091352
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC NameN-[(E)-2,3-dihydroinden-1-ylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C1\CCc2ccccc21)c1cccs1
InChIInChI=1S/C14H12N2OS/c17-14(13-6-3-9-18-13)16-15-12-8-7-10-4-1-2-5-11(10)12/h1-6,9H,7-8H2,(H,16,17)/b15-12+
InChIKeyTXNOVNIRHMPBAE-NTCAYCPXSA-N
XLogP2.83
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)-2,3-dihydroinden-1-ylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-2,3-dihydroinden-1-ylideneamino]thiophene-2-carboxamide (CID 6091352) is N-[(E)-2,3-dihydroinden-1-ylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-2,3-dihydroinden-1-ylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-2,3-dihydroinden-1-ylideneamino]thiophene-2-carboxamide is O=C(N/N=C1\CCc2ccccc21)c1cccs1.
What is the InChIKey of N-[(E)-2,3-dihydroinden-1-ylideneamino]thiophene-2-carboxamide?
The InChIKey is TXNOVNIRHMPBAE-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-14(13-6-3-9-18-13)16-15-12-8-7-10-4-1-2-5-11(10)12/h1-6,9H,7-8H2,(H,16,17)/b15-12+.
What are the key properties of N-[(E)-2,3-dihydroinden-1-ylideneamino]thiophene-2-carboxamide?
N-[(E)-2,3-dihydroinden-1-ylideneamino]thiophene-2-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dihydroinden-1-ylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 6091352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).