N-[(E)-thiophen-3-ylmethylideneamino]-1H-indole-3-carboxamide

C14H11N3OS — CID 5336355

IUPACN-[(E)-thiophen-3-ylmethylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C/c1ccsc1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H11N3OS/c18-14(17-16-7-10-5-6-19-9-10)12-8-15-13-4-2-1-3-11(12)13/h1-9,15H,(H,17,18)/b16-7+
InChIKeyCXZKLLVVWKDDEM-FRKPEAEDSA-N
MW269.33 g/mol
LogP2.99
Rot. Bonds3

About N-[(E)-thiophen-3-ylmethylideneamino]-1H-indole-3-carboxamide

N-[(E)-thiophen-3-ylmethylideneamino]-1H-indole-3-carboxamide (PubChem CID 5336355) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[(E)-thiophen-3-ylmethylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-thiophen-3-ylmethylideneamino]-1H-indole-3-carboxamide
PubChem CID5336355
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC NameN-[(E)-thiophen-3-ylmethylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C/c1ccsc1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H11N3OS/c18-14(17-16-7-10-5-6-19-9-10)12-8-15-13-4-2-1-3-11(12)13/h1-9,15H,(H,17,18)/b16-7+
InChIKeyCXZKLLVVWKDDEM-FRKPEAEDSA-N
XLogP2.99
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
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)-thiophen-3-ylmethylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(E)-thiophen-3-ylmethylideneamino]-1H-indole-3-carboxamide (CID 5336355) is N-[(E)-thiophen-3-ylmethylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(E)-thiophen-3-ylmethylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(E)-thiophen-3-ylmethylideneamino]-1H-indole-3-carboxamide is O=C(N/N=C/c1ccsc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-thiophen-3-ylmethylideneamino]-1H-indole-3-carboxamide?
The InChIKey is CXZKLLVVWKDDEM-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-14(17-16-7-10-5-6-19-9-10)12-8-15-13-4-2-1-3-11(12)13/h1-9,15H,(H,17,18)/b16-7+.
What are the key properties of N-[(E)-thiophen-3-ylmethylideneamino]-1H-indole-3-carboxamide?
N-[(E)-thiophen-3-ylmethylideneamino]-1H-indole-3-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-thiophen-3-ylmethylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 5336355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).