[7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone

C20H16N4O3S2 — CID 11531944

IUPAC[7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cnn2c(-c3cccc(N4CCCS4(=O)=O)c3)ccnc12
InChIInChI=1S/C20H16N4O3S2/c25-19(18-6-2-10-28-18)16-13-22-24-17(7-8-21-20(16)24)14-4-1-5-15(12-14)23-9-3-11-29(23,26)27/h1-2,4-8,10,12-13H,3,9,11H2
InChIKeyMTZQPCPHYAGNTN-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.23
Rot. Bonds4

About [7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone

[7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone (PubChem CID 11531944) has the molecular formula C20H16N4O3S2 and a molecular weight of 424.51 g/mol. Its IUPAC name is [7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone
PubChem CID11531944
Molecular FormulaC20H16N4O3S2
Molecular Weight424.51 g/mol
Exact Mass424.07
IUPAC Name[7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cnn2c(-c3cccc(N4CCCS4(=O)=O)c3)ccnc12
InChIInChI=1S/C20H16N4O3S2/c25-19(18-6-2-10-28-18)16-13-22-24-17(7-8-21-20(16)24)14-4-1-5-15(12-14)23-9-3-11-29(23,26)27/h1-2,4-8,10,12-13H,3,9,11H2
InChIKeyMTZQPCPHYAGNTN-UHFFFAOYSA-N
XLogP3.23
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone (CID 11531944) is [7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)c1cnn2c(-c3cccc(N4CCCS4(=O)=O)c3)ccnc12.
What is the InChIKey of [7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone?
The InChIKey is MTZQPCPHYAGNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S2/c25-19(18-6-2-10-28-18)16-13-22-24-17(7-8-21-20(16)24)14-4-1-5-15(12-14)23-9-3-11-29(23,26)27/h1-2,4-8,10,12-13H,3,9,11H2.
What are the key properties of [7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone?
[7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone has a molecular weight of 424.51 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 11531944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).