N-(1-benzothiophen-3-ylmethylideneamino)aniline

C15H12N2S — CID 68863120

IUPACN-(1-benzothiophen-3-ylmethylideneamino)aniline
SMILESC(=NNc1ccccc1)c1csc2ccccc12
InChIInChI=1S/C15H12N2S/c1-2-6-13(7-3-1)17-16-10-12-11-18-15-9-5-4-8-14(12)15/h1-11,17H
InChIKeyMYFALVWOHSZPGN-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.35
Rot. Bonds3

About N-(1-benzothiophen-3-ylmethylideneamino)aniline

N-(1-benzothiophen-3-ylmethylideneamino)aniline (PubChem CID 68863120) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethylideneamino)aniline.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethylideneamino)aniline
PubChem CID68863120
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC NameN-(1-benzothiophen-3-ylmethylideneamino)aniline
SMILESC(=NNc1ccccc1)c1csc2ccccc12
InChIInChI=1S/C15H12N2S/c1-2-6-13(7-3-1)17-16-10-12-11-18-15-9-5-4-8-14(12)15/h1-11,17H
InChIKeyMYFALVWOHSZPGN-UHFFFAOYSA-N
XLogP4.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_A(11)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-benzothiophen-3-ylmethylideneamino]-4-nitroaniline
CID 56693529
1-(1-benzothiophen-3-yl)-N-methoxymethanimine
CID 76609479
N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-phenylbenzamide
CID 123605204
N-[(E)-1-benzothiophen-3-ylmethylideneamino]-2-formamidoacetamide
CID 144580210
2-(1-benzothiophen-3-ylmethylideneamino)ethanethial
CID 91504286
N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-bromobenzamide
CID 123741387
3-(2,2-dibromoethenyl)-1-benzothiophene
CID 130532128
N-(quinolin-8-ylmethylideneamino)aniline
CID 169381691
N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
N-[(6-methylquinolin-5-yl)methylideneamino]aniline
CID 169382791
N-[[2-(4-methylphenyl)phenyl]methylideneamino]aniline
CID 169382251

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethylideneamino)aniline?
The IUPAC name of N-(1-benzothiophen-3-ylmethylideneamino)aniline (CID 68863120) is N-(1-benzothiophen-3-ylmethylideneamino)aniline.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethylideneamino)aniline?
The canonical SMILES for N-(1-benzothiophen-3-ylmethylideneamino)aniline is C(=NNc1ccccc1)c1csc2ccccc12.
What is the InChIKey of N-(1-benzothiophen-3-ylmethylideneamino)aniline?
The InChIKey is MYFALVWOHSZPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c1-2-6-13(7-3-1)17-16-10-12-11-18-15-9-5-4-8-14(12)15/h1-11,17H.
What are the key properties of N-(1-benzothiophen-3-ylmethylideneamino)aniline?
N-(1-benzothiophen-3-ylmethylideneamino)aniline has a molecular weight of 252.34 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethylideneamino)aniline is sourced from PubChem (CID 68863120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).