4-[5-[(E)-but-2-en-2-yl]thiophen-2-yl]-N,N-dimethylaniline

C16H19NS — CID 162394539

IUPAC4-[5-[(E)-but-2-en-2-yl]thiophen-2-yl]-N,N-dimethylaniline
SMILESC/C=C(\C)c1ccc(-c2ccc(N(C)C)cc2)s1
InChIInChI=1S/C16H19NS/c1-5-12(2)15-10-11-16(18-15)13-6-8-14(9-7-13)17(3)4/h5-11H,1-4H3/b12-5+
InChIKeyAMMZMSCAYJQWSM-LFYBBSHMSA-N
MW257.40 g/mol
LogP4.90
Rot. Bonds3

About 4-[5-[(E)-but-2-en-2-yl]thiophen-2-yl]-N,N-dimethylaniline

4-[5-[(E)-but-2-en-2-yl]thiophen-2-yl]-N,N-dimethylaniline (PubChem CID 162394539) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 4-[5-[(E)-but-2-en-2-yl]thiophen-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-[(E)-but-2-en-2-yl]thiophen-2-yl]-N,N-dimethylaniline
PubChem CID162394539
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name4-[5-[(E)-but-2-en-2-yl]thiophen-2-yl]-N,N-dimethylaniline
SMILESC/C=C(\C)c1ccc(-c2ccc(N(C)C)cc2)s1
InChIInChI=1S/C16H19NS/c1-5-12(2)15-10-11-16(18-15)13-6-8-14(9-7-13)17(3)4/h5-11H,1-4H3/b12-5+
InChIKeyAMMZMSCAYJQWSM-LFYBBSHMSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(E)-but-2-en-2-yl]thiophen-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-[(E)-but-2-en-2-yl]thiophen-2-yl]-N,N-dimethylaniline (CID 162394539) is 4-[5-[(E)-but-2-en-2-yl]thiophen-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-[(E)-but-2-en-2-yl]thiophen-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-[(E)-but-2-en-2-yl]thiophen-2-yl]-N,N-dimethylaniline is C/C=C(\C)c1ccc(-c2ccc(N(C)C)cc2)s1.
What is the InChIKey of 4-[5-[(E)-but-2-en-2-yl]thiophen-2-yl]-N,N-dimethylaniline?
The InChIKey is AMMZMSCAYJQWSM-LFYBBSHMSA-N. The full InChI is InChI=1S/C16H19NS/c1-5-12(2)15-10-11-16(18-15)13-6-8-14(9-7-13)17(3)4/h5-11H,1-4H3/b12-5+.
What are the key properties of 4-[5-[(E)-but-2-en-2-yl]thiophen-2-yl]-N,N-dimethylaniline?
4-[5-[(E)-but-2-en-2-yl]thiophen-2-yl]-N,N-dimethylaniline has a molecular weight of 257.40 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(E)-but-2-en-2-yl]thiophen-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 162394539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).