3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline

C15H10Cl3NOS — CID 43760360

IUPAC3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline
SMILESClc1cc(Cl)cc(NC(c2ccco2)c2ccc(Cl)s2)c1
InChIInChI=1S/C15H10Cl3NOS/c16-9-6-10(17)8-11(7-9)19-15(12-2-1-5-20-12)13-3-4-14(18)21-13/h1-8,15,19H
InChIKeyJWNZQDAIOHBCHI-UHFFFAOYSA-N
MW358.68 g/mol
LogP6.50
Rot. Bonds4

About 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline

3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline (PubChem CID 43760360) has the molecular formula C15H10Cl3NOS and a molecular weight of 358.68 g/mol. Its IUPAC name is 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline
PubChem CID43760360
Molecular FormulaC15H10Cl3NOS
Molecular Weight358.68 g/mol
Exact Mass356.95
IUPAC Name3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline
SMILESClc1cc(Cl)cc(NC(c2ccco2)c2ccc(Cl)s2)c1
InChIInChI=1S/C15H10Cl3NOS/c16-9-6-10(17)8-11(7-9)19-15(12-2-1-5-20-12)13-3-4-14(18)21-13/h1-8,15,19H
InChIKeyJWNZQDAIOHBCHI-UHFFFAOYSA-N
XLogP6.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.68
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-ethylaniline
CID 43764328
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline
CID 43765153
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-1-methylpyrazol-4-amine
CID 43776692
4-chloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pyridin-3-amine
CID 83167719
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine
CID 43756508
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43438966
N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine
CID 60895734
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine
CID 43756023
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]but-3-yn-2-amine
CID 114415106
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine
CID 62694537
1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 106009564
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide
CID 43777111

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline?
The IUPAC name of 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline (CID 43760360) is 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline?
The canonical SMILES for 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline is Clc1cc(Cl)cc(NC(c2ccco2)c2ccc(Cl)s2)c1.
What is the InChIKey of 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline?
The InChIKey is JWNZQDAIOHBCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NOS/c16-9-6-10(17)8-11(7-9)19-15(12-2-1-5-20-12)13-3-4-14(18)21-13/h1-8,15,19H.
What are the key properties of 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline?
3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline has a molecular weight of 358.68 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline is sourced from PubChem (CID 43760360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).