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

C14H13FN2S3 — CID 4130828

IUPACN-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide
SMILESFc1ccc(NC(=S)N2CCSC2c2cccs2)cc1
InChIInChI=1S/C14H13FN2S3/c15-10-3-5-11(6-4-10)16-14(18)17-7-9-20-13(17)12-2-1-8-19-12/h1-6,8,13H,7,9H2,(H,16,18)
InChIKeyWPNLBKMFNBFDAC-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.33
Rot. Bonds2

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

N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide (PubChem CID 4130828) has the molecular formula C14H13FN2S3 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide
PubChem CID4130828
Molecular FormulaC14H13FN2S3
Molecular Weight324.47 g/mol
Exact Mass324.02
IUPAC NameN-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide
SMILESFc1ccc(NC(=S)N2CCSC2c2cccs2)cc1
InChIInChI=1S/C14H13FN2S3/c15-10-3-5-11(6-4-10)16-14(18)17-7-9-20-13(17)12-2-1-8-19-12/h1-6,8,13H,7,9H2,(H,16,18)
InChIKeyWPNLBKMFNBFDAC-UHFFFAOYSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide?
The IUPAC name of N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide (CID 4130828) is N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide?
The canonical SMILES for N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide is Fc1ccc(NC(=S)N2CCSC2c2cccs2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide?
The InChIKey is WPNLBKMFNBFDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2S3/c15-10-3-5-11(6-4-10)16-14(18)17-7-9-20-13(17)12-2-1-8-19-12/h1-6,8,13H,7,9H2,(H,16,18).
What are the key properties of N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide?
N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide has a molecular weight of 324.47 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide is sourced from PubChem (CID 4130828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).