1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one

C12H16N2OS2 — CID 168709435

IUPAC1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1CCc1nc2c(s1)CCC2
InChIInChI=1S/C12H16N2OS2/c15-12-6-8(16)7-14(12)5-4-11-13-9-2-1-3-10(9)17-11/h8,16H,1-7H2
InChIKeyJVYRSWWJBAUAFK-UHFFFAOYSA-N
MW268.41 g/mol
LogP1.71
Rot. Bonds3

About 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one

1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one (PubChem CID 168709435) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one
PubChem CID168709435
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC Name1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1CCc1nc2c(s1)CCC2
InChIInChI=1S/C12H16N2OS2/c15-12-6-8(16)7-14(12)5-4-11-13-9-2-1-3-10(9)17-11/h8,16H,1-7H2
InChIKeyJVYRSWWJBAUAFK-UHFFFAOYSA-N
XLogP1.71
TPSA33.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702985
4-(hydroxymethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrrolidin-2-one
CID 168663252
(3S)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95125789
(3R)-1-ethyl-5-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 95309842
2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 130511936
1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one
CID 168709345
1-[2-(1,3-oxazol-5-yl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168709427
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine;dihydrochloride
CID 47000761
1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170507016
1-[2-(4-propan-2-ylphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168708082
1-[2-(4-methoxyphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168708660
1-(2-naphthalen-1-ylethyl)-4-sulfanylpyrrolidin-2-one
CID 168709415

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one (CID 168709435) is 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one is O=C1CC(S)CN1CCc1nc2c(s1)CCC2.
What is the InChIKey of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one?
The InChIKey is JVYRSWWJBAUAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c15-12-6-8(16)7-14(12)5-4-11-13-9-2-1-3-10(9)17-11/h8,16H,1-7H2.
What are the key properties of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one?
1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one has a molecular weight of 268.41 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168709435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).