(1,1-dioxo-1,2-thiazolidin-2-yl)-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone

C11H17N3O3S — CID 71982505

IUPAC(1,1-dioxo-1,2-thiazolidin-2-yl)-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCS2(=O)=O)n(C)n1
InChIInChI=1S/C11H17N3O3S/c1-8(2)9-7-10(13(3)12-9)11(15)14-5-4-6-18(14,16)17/h7-8H,4-6H2,1-3H3
InChIKeyWNPUBQNVUKRFEN-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.72
Rot. Bonds2

About (1,1-dioxo-1,2-thiazolidin-2-yl)-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone

(1,1-dioxo-1,2-thiazolidin-2-yl)-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 71982505) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is (1,1-dioxo-1,2-thiazolidin-2-yl)-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,2-thiazolidin-2-yl)-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
PubChem CID71982505
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name(1,1-dioxo-1,2-thiazolidin-2-yl)-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCS2(=O)=O)n(C)n1
InChIInChI=1S/C11H17N3O3S/c1-8(2)9-7-10(13(3)12-9)11(15)14-5-4-6-18(14,16)17/h7-8H,4-6H2,1-3H3
InChIKeyWNPUBQNVUKRFEN-UHFFFAOYSA-N
XLogP0.72
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,2-thiazolidin-2-yl)-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of (1,1-dioxo-1,2-thiazolidin-2-yl)-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone (CID 71982505) is (1,1-dioxo-1,2-thiazolidin-2-yl)-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for (1,1-dioxo-1,2-thiazolidin-2-yl)-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for (1,1-dioxo-1,2-thiazolidin-2-yl)-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone is CC(C)c1cc(C(=O)N2CCCS2(=O)=O)n(C)n1.
What is the InChIKey of (1,1-dioxo-1,2-thiazolidin-2-yl)-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is WNPUBQNVUKRFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8(2)9-7-10(13(3)12-9)11(15)14-5-4-6-18(14,16)17/h7-8H,4-6H2,1-3H3.
What are the key properties of (1,1-dioxo-1,2-thiazolidin-2-yl)-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
(1,1-dioxo-1,2-thiazolidin-2-yl)-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 271.34 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,2-thiazolidin-2-yl)-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 71982505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).