2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone

C10H14N2OS2 — CID 47128479

IUPAC2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone
SMILESCc1[nH]c(=S)sc1CC(=O)N1CCCC1
InChIInChI=1S/C10H14N2OS2/c1-7-8(15-10(14)11-7)6-9(13)12-4-2-3-5-12/h2-6H2,1H3,(H,11,14)
InChIKeyDKYGVGRTRBEVSB-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.28
Rot. Bonds2

About 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone

2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 47128479) has the molecular formula C10H14N2OS2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone
PubChem CID47128479
Molecular FormulaC10H14N2OS2
Molecular Weight242.37 g/mol
Exact Mass242.05
IUPAC Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone
SMILESCc1[nH]c(=S)sc1CC(=O)N1CCCC1
InChIInChI=1S/C10H14N2OS2/c1-7-8(15-10(14)11-7)6-9(13)12-4-2-3-5-12/h2-6H2,1H3,(H,11,14)
InChIKeyDKYGVGRTRBEVSB-UHFFFAOYSA-N
XLogP2.28
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.28
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

1-(4-ethylpiperazin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
CID 113220265
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
CID 103726782
1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
CID 99696059
1-(3-ethylpyrrolidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
CID 113253976
1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
CID 103606127
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 99699445
1-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
CID 49048597
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 102559757
N-cyclopentyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 47125331
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 56800121
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
CID 102557167
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 99715277

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone (CID 47128479) is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone is Cc1[nH]c(=S)sc1CC(=O)N1CCCC1.
What is the InChIKey of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is DKYGVGRTRBEVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS2/c1-7-8(15-10(14)11-7)6-9(13)12-4-2-3-5-12/h2-6H2,1H3,(H,11,14).
What are the key properties of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone?
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 242.37 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 47128479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).