2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluorobenzenecarbothioamide

C10H11FN2O2S2 — CID 43581061

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluorobenzenecarbothioamide
SMILESNC(=S)c1c(F)cccc1N1CCCS1(=O)=O
InChIInChI=1S/C10H11FN2O2S2/c11-7-3-1-4-8(9(7)10(12)16)13-5-2-6-17(13,14)15/h1,3-4H,2,5-6H2,(H2,12,16)
InChIKeyDHAAAVSFVWFIEJ-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.00
Rot. Bonds2

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluorobenzenecarbothioamide

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluorobenzenecarbothioamide (PubChem CID 43581061) has the molecular formula C10H11FN2O2S2 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluorobenzenecarbothioamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluorobenzenecarbothioamide
PubChem CID43581061
Molecular FormulaC10H11FN2O2S2
Molecular Weight274.34 g/mol
Exact Mass274.02
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluorobenzenecarbothioamide
SMILESNC(=S)c1c(F)cccc1N1CCCS1(=O)=O
InChIInChI=1S/C10H11FN2O2S2/c11-7-3-1-4-8(9(7)10(12)16)13-5-2-6-17(13,14)15/h1,3-4H,2,5-6H2,(H2,12,16)
InChIKeyDHAAAVSFVWFIEJ-UHFFFAOYSA-N
XLogP1.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-1,2-thiazolidine 1,1-dioxide
CID 71683758
2-(2-fluorophenyl)thiazinane 1,1-dioxide
CID 82081518
2-fluoro-6-(2-oxopyrrolidin-1-yl)benzenecarbothioamide
CID 43581062
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorobenzenecarbothioamide
CID 113335719
2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)benzenecarbothioamide
CID 79516301
1-(2-carbamothioyl-3-fluorophenyl)piperidine-2-carboxamide
CID 79513346
2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluorobenzenecarbothioamide
CID 60790611
2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzenecarbothioamide
CID 79515253
2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide
CID 7483310
2-fluoro-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
CID 79516134
2-(2-ethylpyrrolidin-1-yl)-6-fluorobenzenecarbothioamide
CID 79513153
2-[1-(2-carbamothioyl-3-fluorophenyl)piperidin-4-yl]acetamide
CID 79512494

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluorobenzenecarbothioamide?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluorobenzenecarbothioamide (CID 43581061) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluorobenzenecarbothioamide.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluorobenzenecarbothioamide?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluorobenzenecarbothioamide is NC(=S)c1c(F)cccc1N1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluorobenzenecarbothioamide?
The InChIKey is DHAAAVSFVWFIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2S2/c11-7-3-1-4-8(9(7)10(12)16)13-5-2-6-17(13,14)15/h1,3-4H,2,5-6H2,(H2,12,16).
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluorobenzenecarbothioamide?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluorobenzenecarbothioamide has a molecular weight of 274.34 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluorobenzenecarbothioamide is sourced from PubChem (CID 43581061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).