4-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]-N,N-dimethylaniline

C16H19NS — CID 170732111

IUPAC4-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCCc1ccc(/C=C/c2ccc(N(C)C)cc2)s1
InChIInChI=1S/C16H19NS/c1-4-15-11-12-16(18-15)10-7-13-5-8-14(9-6-13)17(2)3/h5-12H,4H2,1-3H3/b10-7+
InChIKeyDEWCXCGWFCMSCB-JXMROGBWSA-N
MW257.40 g/mol
LogP4.55
Rot. Bonds4

About 4-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]-N,N-dimethylaniline

4-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 170732111) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 4-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]-N,N-dimethylaniline
PubChem CID170732111
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name4-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCCc1ccc(/C=C/c2ccc(N(C)C)cc2)s1
InChIInChI=1S/C16H19NS/c1-4-15-11-12-16(18-15)10-7-13-5-8-14(9-6-13)17(2)3/h5-12H,4H2,1-3H3/b10-7+
InChIKeyDEWCXCGWFCMSCB-JXMROGBWSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]-N,N-dimethylaniline (CID 170732111) is 4-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]-N,N-dimethylaniline is CCc1ccc(/C=C/c2ccc(N(C)C)cc2)s1.
What is the InChIKey of 4-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is DEWCXCGWFCMSCB-JXMROGBWSA-N. The full InChI is InChI=1S/C16H19NS/c1-4-15-11-12-16(18-15)10-7-13-5-8-14(9-6-13)17(2)3/h5-12H,4H2,1-3H3/b10-7+.
What are the key properties of 4-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]-N,N-dimethylaniline?
4-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 257.40 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 170732111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).