3-[1-(4-chlorophenyl)ethenyl]-N,4,5-trimethylthiophen-2-amine

C15H16ClNS — CID 123521631

IUPAC3-[1-(4-chlorophenyl)ethenyl]-N,4,5-trimethylthiophen-2-amine
SMILESC=C(c1ccc(Cl)cc1)c1c(NC)sc(C)c1C
InChIInChI=1S/C15H16ClNS/c1-9-11(3)18-15(17-4)14(9)10(2)12-5-7-13(16)8-6-12/h5-8,17H,2H2,1,3-4H3
InChIKeyNBHXFFUVBQICHB-UHFFFAOYSA-N
MW277.82 g/mol
LogP5.12
Rot. Bonds3

About 3-[1-(4-chlorophenyl)ethenyl]-N,4,5-trimethylthiophen-2-amine

3-[1-(4-chlorophenyl)ethenyl]-N,4,5-trimethylthiophen-2-amine (PubChem CID 123521631) has the molecular formula C15H16ClNS and a molecular weight of 277.82 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)ethenyl]-N,4,5-trimethylthiophen-2-amine.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)ethenyl]-N,4,5-trimethylthiophen-2-amine
PubChem CID123521631
Molecular FormulaC15H16ClNS
Molecular Weight277.82 g/mol
Exact Mass277.07
IUPAC Name3-[1-(4-chlorophenyl)ethenyl]-N,4,5-trimethylthiophen-2-amine
SMILESC=C(c1ccc(Cl)cc1)c1c(NC)sc(C)c1C
InChIInChI=1S/C15H16ClNS/c1-9-11(3)18-15(17-4)14(9)10(2)12-5-7-13(16)8-6-12/h5-8,17H,2H2,1,3-4H3
InChIKeyNBHXFFUVBQICHB-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.82
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)ethenyl]-N,4,5-trimethylthiophen-2-amine?
The IUPAC name of 3-[1-(4-chlorophenyl)ethenyl]-N,4,5-trimethylthiophen-2-amine (CID 123521631) is 3-[1-(4-chlorophenyl)ethenyl]-N,4,5-trimethylthiophen-2-amine.
What is the SMILES notation for 3-[1-(4-chlorophenyl)ethenyl]-N,4,5-trimethylthiophen-2-amine?
The canonical SMILES for 3-[1-(4-chlorophenyl)ethenyl]-N,4,5-trimethylthiophen-2-amine is C=C(c1ccc(Cl)cc1)c1c(NC)sc(C)c1C.
What is the InChIKey of 3-[1-(4-chlorophenyl)ethenyl]-N,4,5-trimethylthiophen-2-amine?
The InChIKey is NBHXFFUVBQICHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS/c1-9-11(3)18-15(17-4)14(9)10(2)12-5-7-13(16)8-6-12/h5-8,17H,2H2,1,3-4H3.
What are the key properties of 3-[1-(4-chlorophenyl)ethenyl]-N,4,5-trimethylthiophen-2-amine?
3-[1-(4-chlorophenyl)ethenyl]-N,4,5-trimethylthiophen-2-amine has a molecular weight of 277.82 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)ethenyl]-N,4,5-trimethylthiophen-2-amine is sourced from PubChem (CID 123521631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).