[5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione

C15H13Cl2NO2S — CID 786411

IUPAC[5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione
SMILESS=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCOCC1
InChIInChI=1S/C15H13Cl2NO2S/c16-10-1-2-12(17)11(9-10)13-3-4-14(20-13)15(21)18-5-7-19-8-6-18/h1-4,9H,5-8H2
InChIKeyKORAHNXRCDXTID-UHFFFAOYSA-N
MW342.25 g/mol
LogP4.26
Rot. Bonds2

About [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione

[5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione (PubChem CID 786411) has the molecular formula C15H13Cl2NO2S and a molecular weight of 342.25 g/mol. Its IUPAC name is [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione.

Molecular Properties

Compound Name[5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione
PubChem CID786411
Molecular FormulaC15H13Cl2NO2S
Molecular Weight342.25 g/mol
Exact Mass341.00
IUPAC Name[5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione
SMILESS=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCOCC1
InChIInChI=1S/C15H13Cl2NO2S/c16-10-1-2-12(17)11(9-10)13-3-4-14(20-13)15(21)18-5-7-19-8-6-18/h1-4,9H,5-8H2
InChIKeyKORAHNXRCDXTID-UHFFFAOYSA-N
XLogP4.26
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-(2,5-dichlorophenyl)furan-2-yl]-(4-phenylpiperazin-1-yl)methanethione
CID 1418434
[5-(2,4-dichlorophenyl)furan-2-yl]-piperidin-1-ylmethanethione
CID 746381
[4-chloro-2-(morpholine-4-carbothioyl)phenyl] 2,5-dichlorobenzoate
CID 1329344
(5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione
CID 135635018
1-[4-[5-(2-chlorophenyl)furan-2-carbothioyl]piperazin-1-yl]ethanone
CID 5069748
N-(3,4-dichlorophenyl)morpholine-4-carbothioamide
CID 773259
[5-(3-chlorophenyl)furan-2-yl]-piperidin-1-ylmethanethione
CID 741694
N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 11483373
5-(2,5-dichlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 30337450
N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 5032750
(3,5-dichloro-2-methoxyphenyl)-morpholin-4-ylmethanethione
CID 3274273
5-(2,5-dichlorophenyl)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 17118271

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione?
The IUPAC name of [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione (CID 786411) is [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione.
What is the SMILES notation for [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione?
The canonical SMILES for [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione is S=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCOCC1.
What is the InChIKey of [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione?
The InChIKey is KORAHNXRCDXTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2S/c16-10-1-2-12(17)11(9-10)13-3-4-14(20-13)15(21)18-5-7-19-8-6-18/h1-4,9H,5-8H2.
What are the key properties of [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione?
[5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione has a molecular weight of 342.25 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione is sourced from PubChem (CID 786411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).