2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanethioamide

C6H12N2O2S2 — CID 61122525

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanethioamide
SMILESCC(C(N)=S)N1CCCS1(=O)=O
InChIInChI=1S/C6H12N2O2S2/c1-5(6(7)11)8-3-2-4-12(8,9)10/h5H,2-4H2,1H3,(H2,7,11)
InChIKeyFDCBYTOMZXYGJR-UHFFFAOYSA-N
MW208.31 g/mol
LogP-0.30
Rot. Bonds2

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanethioamide

2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanethioamide (PubChem CID 61122525) has the molecular formula C6H12N2O2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanethioamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanethioamide
PubChem CID61122525
Molecular FormulaC6H12N2O2S2
Molecular Weight208.31 g/mol
Exact Mass208.03
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanethioamide
SMILESCC(C(N)=S)N1CCCS1(=O)=O
InChIInChI=1S/C6H12N2O2S2/c1-5(6(7)11)8-3-2-4-12(8,9)10/h5H,2-4H2,1H3,(H2,7,11)
InChIKeyFDCBYTOMZXYGJR-UHFFFAOYSA-N
XLogP-0.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 5-0.30
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-(Methylamino)ethyl)-1lambda6,2-thiazolidine-1,1-dione
CID 56828150
3-(Aminomethyl)-2-methyl-1lambda6,2-thiazolidine-1,1-dione
CID 129982016
4-Amino-2-methyl-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 165806793
2-[(2S)-2-aminopropyl]-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 170914813
2-[(2R)-2-aminopropyl]-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 177801350
2-[(3-Fluoropyrrolidin-1-yl)sulfonyl]propanethioamide
CID 164648872
4-Amino-2-methyl-1lambda6,2-thiazolidine-1,1-dione
CID 165806794
1-Propan-2-ylsulfonylpyrrolidin-3-amine
CID 21090429
N-pyrrolidin-3-ylethanesulfonamide
CID 43602881
1-Propylsulfonylpyrrolidin-3-amine
CID 62067215
1-Ethylsulfonylpyrrolidin-3-amine
CID 62067218
(3R)-1-propan-2-ylsulfonylpyrrolidin-3-amine
CID 69359172

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanethioamide?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanethioamide (CID 61122525) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanethioamide.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanethioamide?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanethioamide is CC(C(N)=S)N1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanethioamide?
The InChIKey is FDCBYTOMZXYGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S2/c1-5(6(7)11)8-3-2-4-12(8,9)10/h5H,2-4H2,1H3,(H2,7,11).
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanethioamide?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanethioamide has a molecular weight of 208.31 g/mol, XLogP of -0.30, 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)propanethioamide is sourced from PubChem (CID 61122525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).