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

C16H13Cl2FN2S2 — CID 4766744

IUPAC2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazolidine-3-carbothioamide
SMILESFc1ccc(NC(=S)N2CCSC2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H13Cl2FN2S2/c17-13-6-1-10(9-14(13)18)15-21(7-8-23-15)16(22)20-12-4-2-11(19)3-5-12/h1-6,9,15H,7-8H2,(H,20,22)
InChIKeyRNBUUCMQCORKNL-UHFFFAOYSA-N
MW387.33 g/mol
LogP5.58
Rot. Bonds2

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

2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazolidine-3-carbothioamide (PubChem CID 4766744) has the molecular formula C16H13Cl2FN2S2 and a molecular weight of 387.33 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazolidine-3-carbothioamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazolidine-3-carbothioamide
PubChem CID4766744
Molecular FormulaC16H13Cl2FN2S2
Molecular Weight387.33 g/mol
Exact Mass385.99
IUPAC Name2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazolidine-3-carbothioamide
SMILESFc1ccc(NC(=S)N2CCSC2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H13Cl2FN2S2/c17-13-6-1-10(9-14(13)18)15-21(7-8-23-15)16(22)20-12-4-2-11(19)3-5-12/h1-6,9,15H,7-8H2,(H,20,22)
InChIKeyRNBUUCMQCORKNL-UHFFFAOYSA-N
XLogP5.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.33
LogP ≤ 55.58
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

N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3359543
N-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide
CID 3381826
N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 4572857
N-(4-methoxyphenyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazolidine-3-carbothioamide
CID 5235234
(2R)-N-(4-chlorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide
CID 778002
(2R)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7283743
(2S)-2-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carbothioamide
CID 1043560
2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 45153977
N,1-bis(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 5121845
[(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 99985881
4-[bis(4-fluorophenyl)methyl]-N-(3,4-dichlorophenyl)piperazine-1-carbothioamide
CID 4986062
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4572724

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazolidine-3-carbothioamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazolidine-3-carbothioamide (CID 4766744) is 2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazolidine-3-carbothioamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazolidine-3-carbothioamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazolidine-3-carbothioamide is Fc1ccc(NC(=S)N2CCSC2c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazolidine-3-carbothioamide?
The InChIKey is RNBUUCMQCORKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2S2/c17-13-6-1-10(9-14(13)18)15-21(7-8-23-15)16(22)20-12-4-2-11(19)3-5-12/h1-6,9,15H,7-8H2,(H,20,22).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazolidine-3-carbothioamide?
2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazolidine-3-carbothioamide has a molecular weight of 387.33 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazolidine-3-carbothioamide is sourced from PubChem (CID 4766744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).