N-[[3-(5-methylthiophen-2-yl)phenyl]methylideneamino]aniline

C18H16N2S — CID 169383574

IUPACN-[[3-(5-methylthiophen-2-yl)phenyl]methylideneamino]aniline
SMILESCc1ccc(-c2cccc(C=NNc3ccccc3)c2)s1
InChIInChI=1S/C18H16N2S/c1-14-10-11-18(21-14)16-7-5-6-15(12-16)13-19-20-17-8-3-2-4-9-17/h2-13,20H,1H3
InChIKeyCSBPAYVCJOYHAX-UHFFFAOYSA-N
MW292.41 g/mol
LogP5.17
Rot. Bonds4

About N-[[3-(5-methylthiophen-2-yl)phenyl]methylideneamino]aniline

N-[[3-(5-methylthiophen-2-yl)phenyl]methylideneamino]aniline (PubChem CID 169383574) has the molecular formula C18H16N2S and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[[3-(5-methylthiophen-2-yl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[3-(5-methylthiophen-2-yl)phenyl]methylideneamino]aniline
PubChem CID169383574
Molecular FormulaC18H16N2S
Molecular Weight292.41 g/mol
Exact Mass292.10
IUPAC NameN-[[3-(5-methylthiophen-2-yl)phenyl]methylideneamino]aniline
SMILESCc1ccc(-c2cccc(C=NNc3ccccc3)c2)s1
InChIInChI=1S/C18H16N2S/c1-14-10-11-18(21-14)16-7-5-6-15(12-16)13-19-20-17-8-3-2-4-9-17/h2-13,20H,1H3
InChIKeyCSBPAYVCJOYHAX-UHFFFAOYSA-N
XLogP5.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.41
LogP ≤ 55.17
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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Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-methylthiophen-2-yl)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[3-(5-methylthiophen-2-yl)phenyl]methylideneamino]aniline (CID 169383574) is N-[[3-(5-methylthiophen-2-yl)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[3-(5-methylthiophen-2-yl)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[3-(5-methylthiophen-2-yl)phenyl]methylideneamino]aniline is Cc1ccc(-c2cccc(C=NNc3ccccc3)c2)s1.
What is the InChIKey of N-[[3-(5-methylthiophen-2-yl)phenyl]methylideneamino]aniline?
The InChIKey is CSBPAYVCJOYHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2S/c1-14-10-11-18(21-14)16-7-5-6-15(12-16)13-19-20-17-8-3-2-4-9-17/h2-13,20H,1H3.
What are the key properties of N-[[3-(5-methylthiophen-2-yl)phenyl]methylideneamino]aniline?
N-[[3-(5-methylthiophen-2-yl)phenyl]methylideneamino]aniline has a molecular weight of 292.41 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-methylthiophen-2-yl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169383574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).