[3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone

C14H20N4O2S2 — CID 49216972

IUPAC[3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CSCC2C(=O)N2CCSCC2)cnn1C
InChIInChI=1S/C14H20N4O2S2/c1-10-11(7-15-16(10)2)13(19)18-9-22-8-12(18)14(20)17-3-5-21-6-4-17/h7,12H,3-6,8-9H2,1-2H3
InChIKeyDPALKFICGPMBIU-UHFFFAOYSA-N
MW340.47 g/mol
LogP0.82
Rot. Bonds2

About [3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone

[3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 49216972) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is [3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID49216972
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC Name[3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CSCC2C(=O)N2CCSCC2)cnn1C
InChIInChI=1S/C14H20N4O2S2/c1-10-11(7-15-16(10)2)13(19)18-9-22-8-12(18)14(20)17-3-5-21-6-4-17/h7,12H,3-6,8-9H2,1-2H3
InChIKeyDPALKFICGPMBIU-UHFFFAOYSA-N
XLogP0.82
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone (CID 49216972) is [3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone is Cc1c(C(=O)N2CSCC2C(=O)N2CCSCC2)cnn1C.
What is the InChIKey of [3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is DPALKFICGPMBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-10-11(7-15-16(10)2)13(19)18-9-22-8-12(18)14(20)17-3-5-21-6-4-17/h7,12H,3-6,8-9H2,1-2H3.
What are the key properties of [3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone?
[3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 340.47 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 49216972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).