N-(3-fluorophenyl)-2-methyl-2-phenyl-1,3-thiazolidine-3-carbothioamide

C17H17FN2S2 — CID 12783497

IUPACN-(3-fluorophenyl)-2-methyl-2-phenyl-1,3-thiazolidine-3-carbothioamide
SMILESCC1(c2ccccc2)SCCN1C(=S)Nc1cccc(F)c1
InChIInChI=1S/C17H17FN2S2/c1-17(13-6-3-2-4-7-13)20(10-11-22-17)16(21)19-15-9-5-8-14(18)12-15/h2-9,12H,10-11H2,1H3,(H,19,21)
InChIKeyRICQPVPDNXSPBE-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.44
Rot. Bonds2

About N-(3-fluorophenyl)-2-methyl-2-phenyl-1,3-thiazolidine-3-carbothioamide

N-(3-fluorophenyl)-2-methyl-2-phenyl-1,3-thiazolidine-3-carbothioamide (PubChem CID 12783497) has the molecular formula C17H17FN2S2 and a molecular weight of 332.47 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methyl-2-phenyl-1,3-thiazolidine-3-carbothioamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methyl-2-phenyl-1,3-thiazolidine-3-carbothioamide
PubChem CID12783497
Molecular FormulaC17H17FN2S2
Molecular Weight332.47 g/mol
Exact Mass332.08
IUPAC NameN-(3-fluorophenyl)-2-methyl-2-phenyl-1,3-thiazolidine-3-carbothioamide
SMILESCC1(c2ccccc2)SCCN1C(=S)Nc1cccc(F)c1
InChIInChI=1S/C17H17FN2S2/c1-17(13-6-3-2-4-7-13)20(10-11-22-17)16(21)19-15-9-5-8-14(18)12-15/h2-9,12H,10-11H2,1H3,(H,19,21)
InChIKeyRICQPVPDNXSPBE-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-fluorophenyl)-2-methyl-2-phenyl-1,3-thiazolidine-3-carbothioamide?
The IUPAC name of N-(3-fluorophenyl)-2-methyl-2-phenyl-1,3-thiazolidine-3-carbothioamide (CID 12783497) is N-(3-fluorophenyl)-2-methyl-2-phenyl-1,3-thiazolidine-3-carbothioamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-methyl-2-phenyl-1,3-thiazolidine-3-carbothioamide?
The canonical SMILES for N-(3-fluorophenyl)-2-methyl-2-phenyl-1,3-thiazolidine-3-carbothioamide is CC1(c2ccccc2)SCCN1C(=S)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-methyl-2-phenyl-1,3-thiazolidine-3-carbothioamide?
The InChIKey is RICQPVPDNXSPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2S2/c1-17(13-6-3-2-4-7-13)20(10-11-22-17)16(21)19-15-9-5-8-14(18)12-15/h2-9,12H,10-11H2,1H3,(H,19,21).
What are the key properties of N-(3-fluorophenyl)-2-methyl-2-phenyl-1,3-thiazolidine-3-carbothioamide?
N-(3-fluorophenyl)-2-methyl-2-phenyl-1,3-thiazolidine-3-carbothioamide has a molecular weight of 332.47 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methyl-2-phenyl-1,3-thiazolidine-3-carbothioamide is sourced from PubChem (CID 12783497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).