4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one

C12H12N2OS3 — CID 168672273

IUPAC4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESO=C1CC(CS)CN1c1nc(-c2cccs2)cs1
InChIInChI=1S/C12H12N2OS3/c15-11-4-8(6-16)5-14(11)12-13-9(7-18-12)10-2-1-3-17-10/h1-3,7-8,16H,4-6H2
InChIKeyDMOXSFRJJOWZBE-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.15
Rot. Bonds3

About 4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one

4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one (PubChem CID 168672273) has the molecular formula C12H12N2OS3 and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one
PubChem CID168672273
Molecular FormulaC12H12N2OS3
Molecular Weight296.44 g/mol
Exact Mass296.01
IUPAC Name4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESO=C1CC(CS)CN1c1nc(-c2cccs2)cs1
InChIInChI=1S/C12H12N2OS3/c15-11-4-8(6-16)5-14(11)12-13-9(7-18-12)10-2-1-3-17-10/h1-3,7-8,16H,4-6H2
InChIKeyDMOXSFRJJOWZBE-UHFFFAOYSA-N
XLogP3.15
TPSA33.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672258
5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 168698501
methyl 5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate
CID 168695379
4-(aminomethyl)-1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168661338
4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 168509594
1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664210
4-(bromomethyl)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168506253
4-(bromomethyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168504450
[1-[4-(3-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683259
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
1-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-4-sulfanylpyrrolidin-2-one
CID 168709060
4-(chloromethyl)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168509574

Frequently Asked Questions

What is the IUPAC name of 4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one (CID 168672273) is 4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one is O=C1CC(CS)CN1c1nc(-c2cccs2)cs1.
What is the InChIKey of 4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The InChIKey is DMOXSFRJJOWZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS3/c15-11-4-8(6-16)5-14(11)12-13-9(7-18-12)10-2-1-3-17-10/h1-3,7-8,16H,4-6H2.
What are the key properties of 4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one?
4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one has a molecular weight of 296.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168672273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).