1-[[5-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one

C18H19N5O3S2 — CID 112776764

IUPAC1-[[5-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one
SMILESCc1cc(C(=O)CSc2nnc(CN3CCCC3=O)o2)c(C)n1-c1nccs1
InChIInChI=1S/C18H19N5O3S2/c1-11-8-13(12(2)23(11)17-19-5-7-27-17)14(24)10-28-18-21-20-15(26-18)9-22-6-3-4-16(22)25/h5,7-8H,3-4,6,9-10H2,1-2H3
InChIKeyOYYSJGGFZJTOCE-UHFFFAOYSA-N
MW417.52 g/mol
LogP3.03
Rot. Bonds7

About 1-[[5-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one

1-[[5-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one (PubChem CID 112776764) has the molecular formula C18H19N5O3S2 and a molecular weight of 417.52 g/mol. Its IUPAC name is 1-[[5-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one
PubChem CID112776764
Molecular FormulaC18H19N5O3S2
Molecular Weight417.52 g/mol
Exact Mass417.09
IUPAC Name1-[[5-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one
SMILESCc1cc(C(=O)CSc2nnc(CN3CCCC3=O)o2)c(C)n1-c1nccs1
InChIInChI=1S/C18H19N5O3S2/c1-11-8-13(12(2)23(11)17-19-5-7-27-17)14(24)10-28-18-21-20-15(26-18)9-22-6-3-4-16(22)25/h5,7-8H,3-4,6,9-10H2,1-2H3
InChIKeyOYYSJGGFZJTOCE-UHFFFAOYSA-N
XLogP3.03
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[[5-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[5-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one (CID 112776764) is 1-[[5-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[5-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[5-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one is Cc1cc(C(=O)CSc2nnc(CN3CCCC3=O)o2)c(C)n1-c1nccs1.
What is the InChIKey of 1-[[5-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is OYYSJGGFZJTOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S2/c1-11-8-13(12(2)23(11)17-19-5-7-27-17)14(24)10-28-18-21-20-15(26-18)9-22-6-3-4-16(22)25/h5,7-8H,3-4,6,9-10H2,1-2H3.
What are the key properties of 1-[[5-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one?
1-[[5-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 417.52 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 112776764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).