N-[(E)-1H-indol-5-ylmethylideneamino]thiophene-3-carboxamide

C14H11N3OS — CID 11694670

IUPACN-[(E)-1H-indol-5-ylmethylideneamino]thiophene-3-carboxamide
SMILESO=C(N/N=C/c1ccc2[nH]ccc2c1)c1ccsc1
InChIInChI=1S/C14H11N3OS/c18-14(12-4-6-19-9-12)17-16-8-10-1-2-13-11(7-10)3-5-15-13/h1-9,15H,(H,17,18)/b16-8+
InChIKeyOILAICXJSDYBJP-LZYBPNLTSA-N
MW269.33 g/mol
LogP2.99
Rot. Bonds3

About N-[(E)-1H-indol-5-ylmethylideneamino]thiophene-3-carboxamide

N-[(E)-1H-indol-5-ylmethylideneamino]thiophene-3-carboxamide (PubChem CID 11694670) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[(E)-1H-indol-5-ylmethylideneamino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-5-ylmethylideneamino]thiophene-3-carboxamide
PubChem CID11694670
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC NameN-[(E)-1H-indol-5-ylmethylideneamino]thiophene-3-carboxamide
SMILESO=C(N/N=C/c1ccc2[nH]ccc2c1)c1ccsc1
InChIInChI=1S/C14H11N3OS/c18-14(12-4-6-19-9-12)17-16-8-10-1-2-13-11(7-10)3-5-15-13/h1-9,15H,(H,17,18)/b16-8+
InChIKeyOILAICXJSDYBJP-LZYBPNLTSA-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

(E)-N-[(E)-1H-indol-5-ylmethylideneamino]-3-[4-[(E)-3-[(2E)-2-(1H-indol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 89119471
3-chloro-N-[2-[2-(1H-indol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide
CID 123771134
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-6-carboxamide
CID 164880554
tert-butyl N-[(E)-1H-indol-6-ylmethylideneamino]carbamate
CID 71668946
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide
CID 5155397
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide
CID 9016709
N-[(E)-1H-indol-6-ylmethylideneamino]-2-(2-methylphenoxy)acetamide
CID 90005294
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136661620
4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide
CID 4980480

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-5-ylmethylideneamino]thiophene-3-carboxamide?
The IUPAC name of N-[(E)-1H-indol-5-ylmethylideneamino]thiophene-3-carboxamide (CID 11694670) is N-[(E)-1H-indol-5-ylmethylideneamino]thiophene-3-carboxamide.
What is the SMILES notation for N-[(E)-1H-indol-5-ylmethylideneamino]thiophene-3-carboxamide?
The canonical SMILES for N-[(E)-1H-indol-5-ylmethylideneamino]thiophene-3-carboxamide is O=C(N/N=C/c1ccc2[nH]ccc2c1)c1ccsc1.
What is the InChIKey of N-[(E)-1H-indol-5-ylmethylideneamino]thiophene-3-carboxamide?
The InChIKey is OILAICXJSDYBJP-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-14(12-4-6-19-9-12)17-16-8-10-1-2-13-11(7-10)3-5-15-13/h1-9,15H,(H,17,18)/b16-8+.
What are the key properties of N-[(E)-1H-indol-5-ylmethylideneamino]thiophene-3-carboxamide?
N-[(E)-1H-indol-5-ylmethylideneamino]thiophene-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)-1H-indol-5-ylmethylideneamino]thiophene-3-carboxamide is sourced from PubChem (CID 11694670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).