N-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide

C16H13Cl3N2S2 — CID 3381826

IUPACN-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide
SMILESS=C(Nc1ccc(Cl)cc1)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N2S2/c17-10-1-4-12(5-2-10)20-16(22)21-7-8-23-15(21)13-6-3-11(18)9-14(13)19/h1-6,9,15H,7-8H2,(H,20,22)
InChIKeyRDULVRPMQHZXBP-UHFFFAOYSA-N
MW403.79 g/mol
LogP6.09
Rot. Bonds2

About N-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide

N-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide (PubChem CID 3381826) has the molecular formula C16H13Cl3N2S2 and a molecular weight of 403.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide
PubChem CID3381826
Molecular FormulaC16H13Cl3N2S2
Molecular Weight403.79 g/mol
Exact Mass401.96
IUPAC NameN-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide
SMILESS=C(Nc1ccc(Cl)cc1)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N2S2/c17-10-1-4-12(5-2-10)20-16(22)21-7-8-23-15(21)13-6-3-11(18)9-14(13)19/h1-6,9,15H,7-8H2,(H,20,22)
InChIKeyRDULVRPMQHZXBP-UHFFFAOYSA-N
XLogP6.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.79
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide
CID 778002
cyclohexyl-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 7264912
2-(2,4-dichlorophenyl)-N-(3,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 3462606
2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazolidine-3-carbothioamide
CID 4766744
2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 122330998
(1R)-N-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 41048671
2-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide
CID 122331003
[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 7396529
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone
CID 4127667
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethylphenyl)methanone
CID 122330981
2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide
CID 4691559
2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3418424

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide (CID 3381826) is N-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide is S=C(Nc1ccc(Cl)cc1)N1CCSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide?
The InChIKey is RDULVRPMQHZXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2S2/c17-10-1-4-12(5-2-10)20-16(22)21-7-8-23-15(21)13-6-3-11(18)9-14(13)19/h1-6,9,15H,7-8H2,(H,20,22).
What are the key properties of N-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide?
N-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide has a molecular weight of 403.79 g/mol, XLogP of 6.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide is sourced from PubChem (CID 3381826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).