(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone

C15H17N3O3S — CID 138047673

IUPAC(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2C(C)CCS2(=O)=O)cnn1-c1ccccc1
InChIInChI=1S/C15H17N3O3S/c1-11-8-9-22(20,21)18(11)15(19)14-10-16-17(12(14)2)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3
InChIKeyWBZHZPKVMIYFJV-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.74
Rot. Bonds2

About (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone

(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone (PubChem CID 138047673) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
PubChem CID138047673
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2C(C)CCS2(=O)=O)cnn1-c1ccccc1
InChIInChI=1S/C15H17N3O3S/c1-11-8-9-22(20,21)18(11)15(19)14-10-16-17(12(14)2)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3
InChIKeyWBZHZPKVMIYFJV-UHFFFAOYSA-N
XLogP1.74
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The IUPAC name of (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone (CID 138047673) is (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone is Cc1c(C(=O)N2C(C)CCS2(=O)=O)cnn1-c1ccccc1.
What is the InChIKey of (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The InChIKey is WBZHZPKVMIYFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-11-8-9-22(20,21)18(11)15(19)14-10-16-17(12(14)2)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone?
(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone has a molecular weight of 319.39 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 138047673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).