2-(methylamino)-1-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethanone

C7H14N2OS2 — CID 20699483

IUPAC2-(methylamino)-1-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCNCC(=O)N1CSCC1CS
InChIInChI=1S/C7H14N2OS2/c1-8-2-7(10)9-5-12-4-6(9)3-11/h6,8,11H,2-5H2,1H3
InChIKeyCQPCNSLFSUQOHI-UHFFFAOYSA-N
MW206.34 g/mol
LogP0.04
Rot. Bonds3

About 2-(methylamino)-1-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethanone

2-(methylamino)-1-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 20699483) has the molecular formula C7H14N2OS2 and a molecular weight of 206.34 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID20699483
Molecular FormulaC7H14N2OS2
Molecular Weight206.34 g/mol
Exact Mass206.05
IUPAC Name2-(methylamino)-1-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCNCC(=O)N1CSCC1CS
InChIInChI=1S/C7H14N2OS2/c1-8-2-7(10)9-5-12-4-6(9)3-11/h6,8,11H,2-5H2,1H3
InChIKeyCQPCNSLFSUQOHI-UHFFFAOYSA-N
XLogP0.04
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.34
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethanone (CID 20699483) is 2-(methylamino)-1-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethanone is CNCC(=O)N1CSCC1CS.
What is the InChIKey of 2-(methylamino)-1-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is CQPCNSLFSUQOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS2/c1-8-2-7(10)9-5-12-4-6(9)3-11/h6,8,11H,2-5H2,1H3.
What are the key properties of 2-(methylamino)-1-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethanone?
2-(methylamino)-1-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 206.34 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 20699483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).