1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one

C12H18N2OS2 — CID 168669914

IUPAC1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESCCc1nc(CCN2CC(CS)CC2=O)cs1
InChIInChI=1S/C12H18N2OS2/c1-2-11-13-10(8-17-11)3-4-14-6-9(7-16)5-12(14)15/h8-9,16H,2-7H2,1H3
InChIKeyLZZPNJOEKQRLDZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.03
Rot. Bonds5

About 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one

1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one (PubChem CID 168669914) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
PubChem CID168669914
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC Name1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESCCc1nc(CCN2CC(CS)CC2=O)cs1
InChIInChI=1S/C12H18N2OS2/c1-2-11-13-10(8-17-11)3-4-14-6-9(7-16)5-12(14)15/h8-9,16H,2-7H2,1H3
InChIKeyLZZPNJOEKQRLDZ-UHFFFAOYSA-N
XLogP2.03
TPSA33.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.03
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-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675423
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717155
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713827
(4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one
CID 97284135
(3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95138021
1-[(1-methylpyrazol-3-yl)methyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670791
1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512303
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea
CID 75500635
1-(2-aminopropyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669215
5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 50959352
1-[2-(4-propan-2-ylphenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669677
1-(2-naphthalen-1-ylethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671011

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one (CID 168669914) is 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one is CCc1nc(CCN2CC(CS)CC2=O)cs1.
What is the InChIKey of 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one?
The InChIKey is LZZPNJOEKQRLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-2-11-13-10(8-17-11)3-4-14-6-9(7-16)5-12(14)15/h8-9,16H,2-7H2,1H3.
What are the key properties of 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one?
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one has a molecular weight of 270.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168669914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).