N-(4-chloro-2,5-dimethoxyphenyl)-1-thiophen-2-ylmethanimine

C13H12ClNO2S — CID 2796602

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-1-thiophen-2-ylmethanimine
SMILESCOc1cc(/N=C/c2cccs2)c(OC)cc1Cl
InChIInChI=1S/C13H12ClNO2S/c1-16-12-7-11(13(17-2)6-10(12)14)15-8-9-4-3-5-18-9/h3-8H,1-2H3/b15-8+
InChIKeyYEFFWNARAYULTP-OVCLIPMQSA-N
MW281.76 g/mol
LogP4.17
Rot. Bonds4

About N-(4-chloro-2,5-dimethoxyphenyl)-1-thiophen-2-ylmethanimine

N-(4-chloro-2,5-dimethoxyphenyl)-1-thiophen-2-ylmethanimine (PubChem CID 2796602) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-1-thiophen-2-ylmethanimine
PubChem CID2796602
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-1-thiophen-2-ylmethanimine
SMILESCOc1cc(/N=C/c2cccs2)c(OC)cc1Cl
InChIInChI=1S/C13H12ClNO2S/c1-16-12-7-11(13(17-2)6-10(12)14)15-8-9-4-3-5-18-9/h3-8H,1-2H3/b15-8+
InChIKeyYEFFWNARAYULTP-OVCLIPMQSA-N
XLogP4.17
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.17
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-(4-chloro-2,5-dimethoxyphenyl)-1-thiophen-2-ylmethanimine?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1-thiophen-2-ylmethanimine (CID 2796602) is N-(4-chloro-2,5-dimethoxyphenyl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-1-thiophen-2-ylmethanimine is COc1cc(/N=C/c2cccs2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-1-thiophen-2-ylmethanimine?
The InChIKey is YEFFWNARAYULTP-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-16-12-7-11(13(17-2)6-10(12)14)15-8-9-4-3-5-18-9/h3-8H,1-2H3/b15-8+.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-1-thiophen-2-ylmethanimine?
N-(4-chloro-2,5-dimethoxyphenyl)-1-thiophen-2-ylmethanimine has a molecular weight of 281.76 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 2796602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).