N-chloro-N-(thiophen-2-ylmethylideneamino)aniline

C11H9ClN2S — CID 175004427

IUPACN-chloro-N-(thiophen-2-ylmethylideneamino)aniline
SMILESClN(N=Cc1cccs1)c1ccccc1
InChIInChI=1S/C11H9ClN2S/c12-14(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h1-9H
InChIKeyIGIFAFDPJVSOSN-UHFFFAOYSA-N
MW236.73 g/mol
LogP3.74
Rot. Bonds3

About N-chloro-N-(thiophen-2-ylmethylideneamino)aniline

N-chloro-N-(thiophen-2-ylmethylideneamino)aniline (PubChem CID 175004427) has the molecular formula C11H9ClN2S and a molecular weight of 236.73 g/mol. Its IUPAC name is N-chloro-N-(thiophen-2-ylmethylideneamino)aniline.

Molecular Properties

Compound NameN-chloro-N-(thiophen-2-ylmethylideneamino)aniline
PubChem CID175004427
Molecular FormulaC11H9ClN2S
Molecular Weight236.73 g/mol
Exact Mass236.02
IUPAC NameN-chloro-N-(thiophen-2-ylmethylideneamino)aniline
SMILESClN(N=Cc1cccs1)c1ccccc1
InChIInChI=1S/C11H9ClN2S/c12-14(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h1-9H
InChIKeyIGIFAFDPJVSOSN-UHFFFAOYSA-N
XLogP3.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.73
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline
CID 70556050
1-methyl-1-[(E)-thiophen-2-ylmethylideneamino]thiourea
CID 119086278
(NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine
CID 5371572
1-methyl-1-phenyl-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea
CID 11566945
N-[3-chloro-5-(thiophen-2-ylmethylideneamino)phenyl]-1-thiophen-2-ylmethanimine
CID 134122440
N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine
CID 761163
N-(thiophen-2-ylmethylideneamino)formamide
CID 4188551
N-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-2-ylmethanimine
CID 2351568
1-thiophen-2-yl-N-tribenzylsilyloxymethanimine
CID 91224164
phenyl-[4-(thiophen-2-ylmethylideneamino)phenyl]methanone
CID 10779931
N-(2-diphenylphosphanylphenyl)-1-thiophen-2-ylmethanimine
CID 102246105
(E)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylmethanimine
CID 139076781

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-(thiophen-2-ylmethylideneamino)aniline?
The IUPAC name of N-chloro-N-(thiophen-2-ylmethylideneamino)aniline (CID 175004427) is N-chloro-N-(thiophen-2-ylmethylideneamino)aniline.
What is the SMILES notation for N-chloro-N-(thiophen-2-ylmethylideneamino)aniline?
The canonical SMILES for N-chloro-N-(thiophen-2-ylmethylideneamino)aniline is ClN(N=Cc1cccs1)c1ccccc1.
What is the InChIKey of N-chloro-N-(thiophen-2-ylmethylideneamino)aniline?
The InChIKey is IGIFAFDPJVSOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2S/c12-14(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h1-9H.
What are the key properties of N-chloro-N-(thiophen-2-ylmethylideneamino)aniline?
N-chloro-N-(thiophen-2-ylmethylideneamino)aniline has a molecular weight of 236.73 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-(thiophen-2-ylmethylideneamino)aniline is sourced from PubChem (CID 175004427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).