4-(4-bromophenyl)-N-(4-chlorophenyl)-4-hydroxypiperidine-1-carbothioamide

C18H18BrClN2OS — CID 3543249

IUPAC4-(4-bromophenyl)-N-(4-chlorophenyl)-4-hydroxypiperidine-1-carbothioamide
SMILESOC1(c2ccc(Br)cc2)CCN(C(=S)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18BrClN2OS/c19-14-3-1-13(2-4-14)18(23)9-11-22(12-10-18)17(24)21-16-7-5-15(20)6-8-16/h1-8,23H,9-12H2,(H,21,24)
InChIKeyLNMLQNKWGRZRTR-UHFFFAOYSA-N
MW425.78 g/mol
LogP4.78
Rot. Bonds2

About 4-(4-bromophenyl)-N-(4-chlorophenyl)-4-hydroxypiperidine-1-carbothioamide

4-(4-bromophenyl)-N-(4-chlorophenyl)-4-hydroxypiperidine-1-carbothioamide (PubChem CID 3543249) has the molecular formula C18H18BrClN2OS and a molecular weight of 425.78 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(4-chlorophenyl)-4-hydroxypiperidine-1-carbothioamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(4-chlorophenyl)-4-hydroxypiperidine-1-carbothioamide
PubChem CID3543249
Molecular FormulaC18H18BrClN2OS
Molecular Weight425.78 g/mol
Exact Mass424.00
IUPAC Name4-(4-bromophenyl)-N-(4-chlorophenyl)-4-hydroxypiperidine-1-carbothioamide
SMILESOC1(c2ccc(Br)cc2)CCN(C(=S)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18BrClN2OS/c19-14-3-1-13(2-4-14)18(23)9-11-22(12-10-18)17(24)21-16-7-5-15(20)6-8-16/h1-8,23H,9-12H2,(H,21,24)
InChIKeyLNMLQNKWGRZRTR-UHFFFAOYSA-N
XLogP4.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.78
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-(4-bromophenyl)-N-(4-chlorophenyl)-4-hydroxypiperidine-1-carbothioamide 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-N,4-N-bis(4-chlorophenyl)piperazine-1,4-dicarbothioamide
CID 4076221
4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23072100
1-(4-bromophenyl)-3-[4-[(4-chlorophenyl)carbamothioylamino]phenyl]thiourea
CID 18982691
N-(4-bromophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carbothioamide
CID 162659951
N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carbothioamide
CID 162655838
(2R,6R)-N-(4-chlorophenyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 892891
N-(4-benzoylphenyl)-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide
CID 22448009
(5-bromo-2-pyrrol-1-ylphenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 39334772
ethyl 4-[(4-bromophenyl)carbamothioyl]piperazine-1-carboxylate
CID 1315067
4-[(4-chlorophenyl)methyl]-N-(4-methylphenyl)piperazine-1-carbothioamide
CID 19289652
4-(4-chlorophenyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide
CID 17299706
4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
CID 60895332

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(4-chlorophenyl)-4-hydroxypiperidine-1-carbothioamide?
The IUPAC name of 4-(4-bromophenyl)-N-(4-chlorophenyl)-4-hydroxypiperidine-1-carbothioamide (CID 3543249) is 4-(4-bromophenyl)-N-(4-chlorophenyl)-4-hydroxypiperidine-1-carbothioamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-(4-chlorophenyl)-4-hydroxypiperidine-1-carbothioamide?
The canonical SMILES for 4-(4-bromophenyl)-N-(4-chlorophenyl)-4-hydroxypiperidine-1-carbothioamide is OC1(c2ccc(Br)cc2)CCN(C(=S)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-N-(4-chlorophenyl)-4-hydroxypiperidine-1-carbothioamide?
The InChIKey is LNMLQNKWGRZRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2OS/c19-14-3-1-13(2-4-14)18(23)9-11-22(12-10-18)17(24)21-16-7-5-15(20)6-8-16/h1-8,23H,9-12H2,(H,21,24).
What are the key properties of 4-(4-bromophenyl)-N-(4-chlorophenyl)-4-hydroxypiperidine-1-carbothioamide?
4-(4-bromophenyl)-N-(4-chlorophenyl)-4-hydroxypiperidine-1-carbothioamide has a molecular weight of 425.78 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(4-chlorophenyl)-4-hydroxypiperidine-1-carbothioamide is sourced from PubChem (CID 3543249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).