N-[(E)-1H-indol-3-ylmethylideneamino]thiophene-2-carboxamide

C14H11N3OS — CID 135520251

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C14H11N3OS/c18-14(13-6-3-7-19-13)17-16-9-10-8-15-12-5-2-1-4-11(10)12/h1-9,15H,(H,17,18)/b16-9+
InChIKeyFMKAYIUNMIHSEK-CXUHLZMHSA-N
MW269.33 g/mol
LogP2.99
Rot. Bonds3

About N-[(E)-1H-indol-3-ylmethylideneamino]thiophene-2-carboxamide

N-[(E)-1H-indol-3-ylmethylideneamino]thiophene-2-carboxamide (PubChem CID 135520251) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]thiophene-2-carboxamide
PubChem CID135520251
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C14H11N3OS/c18-14(13-6-3-7-19-13)17-16-9-10-8-15-12-5-2-1-4-11(10)12/h1-9,15H,(H,17,18)/b16-9+
InChIKeyFMKAYIUNMIHSEK-CXUHLZMHSA-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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Related Compounds

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
CID 588963
Benzoic acid (1H-indol-3-ylmethylene)-hydrazide
CID 135495642
3-(1-methyl-1H-indol-3-yl)-4-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327668
2-(5-Thiophen-2-yl-1H-indol-3-yl)-ethylamine
CID 10198700
N'-[(E)-(4-bromothiophen-2-yl)methylidene]-1H-indole-3-carbohydrazide
CID 9557417
2-(1H-indol-3-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 3745859
Indothiazinone
CID 69252541
N'-[(5-ethyl-2-thienyl)methylene]-1H-indole-3-carbohydrazide
CID 5342196
4-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 2525315
N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 2571989
N'-[(1E)-1-(5-methylthiophen-2-yl)ethylidene]-1H-indole-3-carbohydrazide
CID 5336353
N-[(E)-3-Thienylmethyleneamino]-1H-indole-3-carboxamide
CID 5336355

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]thiophene-2-carboxamide (CID 135520251) is N-[(E)-1H-indol-3-ylmethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]thiophene-2-carboxamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1cccs1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]thiophene-2-carboxamide?
The InChIKey is FMKAYIUNMIHSEK-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-14(13-6-3-7-19-13)17-16-9-10-8-15-12-5-2-1-4-11(10)12/h1-9,15H,(H,17,18)/b16-9+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]thiophene-2-carboxamide?
N-[(E)-1H-indol-3-ylmethylideneamino]thiophene-2-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)-1H-indol-3-ylmethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 135520251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).