2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline

C12H11ClN2S — CID 3463162

IUPAC2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline
SMILESCC(=NNc1ccccc1Cl)c1cccs1
InChIInChI=1S/C12H11ClN2S/c1-9(12-7-4-8-16-12)14-15-11-6-3-2-5-10(11)13/h2-8,15H,1H3
InChIKeySKYXTCHHDCQYCX-UHFFFAOYSA-N
MW250.75 g/mol
LogP4.24
Rot. Bonds3

About 2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline

2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline (PubChem CID 3463162) has the molecular formula C12H11ClN2S and a molecular weight of 250.75 g/mol. Its IUPAC name is 2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline.

Molecular Properties

Compound Name2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline
PubChem CID3463162
Molecular FormulaC12H11ClN2S
Molecular Weight250.75 g/mol
Exact Mass250.03
IUPAC Name2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline
SMILESCC(=NNc1ccccc1Cl)c1cccs1
InChIInChI=1S/C12H11ClN2S/c1-9(12-7-4-8-16-12)14-15-11-6-3-2-5-10(11)13/h2-8,15H,1H3
InChIKeySKYXTCHHDCQYCX-UHFFFAOYSA-N
XLogP4.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 54.24
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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Related Compounds

N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide
CID 19660564
2-ethyl-N-[(E)-1-thiophen-2-ylethylideneamino]aniline
CID 7340543
2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5333978
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
4-[(E)-N-(2-chloroanilino)-C-methylcarbonimidoyl]benzoic acid
CID 154860919
2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline
CID 84921584
3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline
CID 86752186
2-chloro-N-[(E)-1-nitroethylideneamino]aniline
CID 170698173
2-[N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]thiophene
CID 5222942
4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine
CID 6264891
N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropanecarboxamide
CID 6340204
N'-(2-chloroanilino)-N,N-diethylethanimidamide
CID 25018588

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline?
The IUPAC name of 2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline (CID 3463162) is 2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline.
What is the SMILES notation for 2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline?
The canonical SMILES for 2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline is CC(=NNc1ccccc1Cl)c1cccs1.
What is the InChIKey of 2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline?
The InChIKey is SKYXTCHHDCQYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2S/c1-9(12-7-4-8-16-12)14-15-11-6-3-2-5-10(11)13/h2-8,15H,1H3.
What are the key properties of 2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline?
2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline has a molecular weight of 250.75 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline is sourced from PubChem (CID 3463162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).