N-[3-chloro-5-(thiophen-2-ylmethylideneamino)phenyl]-1-thiophen-2-ylmethanimine

C16H11ClN2S2 — CID 134122440

IUPACN-[3-chloro-5-(thiophen-2-ylmethylideneamino)phenyl]-1-thiophen-2-ylmethanimine
SMILESClc1cc(/N=C/c2cccs2)cc(/N=C/c2cccs2)c1
InChIInChI=1S/C16H11ClN2S2/c17-12-7-13(18-10-15-3-1-5-20-15)9-14(8-12)19-11-16-4-2-6-21-16/h1-11H/b18-10+,19-11+
InChIKeySJGXPAOMQPNCAH-XOBNHNQQSA-N
MW330.87 g/mol
LogP5.96
Rot. Bonds4

About N-[3-chloro-5-(thiophen-2-ylmethylideneamino)phenyl]-1-thiophen-2-ylmethanimine

N-[3-chloro-5-(thiophen-2-ylmethylideneamino)phenyl]-1-thiophen-2-ylmethanimine (PubChem CID 134122440) has the molecular formula C16H11ClN2S2 and a molecular weight of 330.87 g/mol. Its IUPAC name is N-[3-chloro-5-(thiophen-2-ylmethylideneamino)phenyl]-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-[3-chloro-5-(thiophen-2-ylmethylideneamino)phenyl]-1-thiophen-2-ylmethanimine
PubChem CID134122440
Molecular FormulaC16H11ClN2S2
Molecular Weight330.87 g/mol
Exact Mass330.01
IUPAC NameN-[3-chloro-5-(thiophen-2-ylmethylideneamino)phenyl]-1-thiophen-2-ylmethanimine
SMILESClc1cc(/N=C/c2cccs2)cc(/N=C/c2cccs2)c1
InChIInChI=1S/C16H11ClN2S2/c17-12-7-13(18-10-15-3-1-5-20-15)9-14(8-12)19-11-16-4-2-6-21-16/h1-11H/b18-10+,19-11+
InChIKeySJGXPAOMQPNCAH-XOBNHNQQSA-N
XLogP5.96
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.87
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(thiophen-2-ylmethylideneamino)phenyl]-1-thiophen-2-ylmethanimine?
The IUPAC name of N-[3-chloro-5-(thiophen-2-ylmethylideneamino)phenyl]-1-thiophen-2-ylmethanimine (CID 134122440) is N-[3-chloro-5-(thiophen-2-ylmethylideneamino)phenyl]-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-[3-chloro-5-(thiophen-2-ylmethylideneamino)phenyl]-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-[3-chloro-5-(thiophen-2-ylmethylideneamino)phenyl]-1-thiophen-2-ylmethanimine is Clc1cc(/N=C/c2cccs2)cc(/N=C/c2cccs2)c1.
What is the InChIKey of N-[3-chloro-5-(thiophen-2-ylmethylideneamino)phenyl]-1-thiophen-2-ylmethanimine?
The InChIKey is SJGXPAOMQPNCAH-XOBNHNQQSA-N. The full InChI is InChI=1S/C16H11ClN2S2/c17-12-7-13(18-10-15-3-1-5-20-15)9-14(8-12)19-11-16-4-2-6-21-16/h1-11H/b18-10+,19-11+.
What are the key properties of N-[3-chloro-5-(thiophen-2-ylmethylideneamino)phenyl]-1-thiophen-2-ylmethanimine?
N-[3-chloro-5-(thiophen-2-ylmethylideneamino)phenyl]-1-thiophen-2-ylmethanimine has a molecular weight of 330.87 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(thiophen-2-ylmethylideneamino)phenyl]-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 134122440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).