[5-(2,4-dichlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanethione

C17H17Cl2NOS — CID 2018906

IUPAC[5-(2,4-dichlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanethione
SMILESCC1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1
InChIInChI=1S/C17H17Cl2NOS/c1-11-6-8-20(9-7-11)17(22)16-5-4-15(21-16)13-3-2-12(18)10-14(13)19/h2-5,10-11H,6-9H2,1H3
InChIKeyDADSUKDVNXPZJC-UHFFFAOYSA-N
MW354.30 g/mol
LogP5.66
Rot. Bonds2

About [5-(2,4-dichlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanethione

[5-(2,4-dichlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanethione (PubChem CID 2018906) has the molecular formula C17H17Cl2NOS and a molecular weight of 354.30 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanethione.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanethione
PubChem CID2018906
Molecular FormulaC17H17Cl2NOS
Molecular Weight354.30 g/mol
Exact Mass353.04
IUPAC Name[5-(2,4-dichlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanethione
SMILESCC1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1
InChIInChI=1S/C17H17Cl2NOS/c1-11-6-8-20(9-7-11)17(22)16-5-4-15(21-16)13-3-2-12(18)10-14(13)19/h2-5,10-11H,6-9H2,1H3
InChIKeyDADSUKDVNXPZJC-UHFFFAOYSA-N
XLogP5.66
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.30
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_amide_A(6)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [5-(2,4-dichlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanethione 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

1-[5-(3-Chlorophenyl)furan-2-carbothioyl]piperidine
CID 741694
(5-(2,4-Dichlorophenyl)furan-2-yl)(pyrrolidin-1-yl)methanethione
CID 936298
1-{[5-(4-Chlorophenyl)-2-furyl]methyl}piperidine
CID 782099
[5-(3,4-Dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione
CID 947873
[5-(2,4-Dichlorophenyl)furan-2-yl](morpholin-4-yl)methanone
CID 919410
[5-(2,5-Dichlorophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanethione
CID 3588620
[5-(2-Chlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 4494608
[5-(2-Chlorophenyl)-2-furyl]-(3-methylpiperidino)methanone
CID 18105311
3-[4-[5-(3,4-Dichlorophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile
CID 647949
3-(4-(5-(4-Chlorophenyl)furan-2-carbonothioyl)piperazin-1-yl)propanenitrile
CID 650965
[5-(2,5-Dichloro-phenyl)-furan-2-yl]-piperidin-1-yl-methanethione
CID 786412
1-{[5-(4-Chlorophenyl)-2-furyl]carbonothioyl}piperidine
CID 796821

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanethione?
The IUPAC name of [5-(2,4-dichlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanethione (CID 2018906) is [5-(2,4-dichlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanethione.
What is the SMILES notation for [5-(2,4-dichlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanethione?
The canonical SMILES for [5-(2,4-dichlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanethione is CC1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1.
What is the InChIKey of [5-(2,4-dichlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanethione?
The InChIKey is DADSUKDVNXPZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NOS/c1-11-6-8-20(9-7-11)17(22)16-5-4-15(21-16)13-3-2-12(18)10-14(13)19/h2-5,10-11H,6-9H2,1H3.
What are the key properties of [5-(2,4-dichlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanethione?
[5-(2,4-dichlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanethione has a molecular weight of 354.30 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanethione is sourced from PubChem (CID 2018906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).