[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone

C17H23N5O4S — CID 139006050

IUPAC[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N1CCCC(N2CCCS2(=O)=O)C1
InChIInChI=1S/C17H23N5O4S/c1-12-15(19-16(26-12)13-9-18-20(2)10-13)17(23)21-6-3-5-14(11-21)22-7-4-8-27(22,24)25/h9-10,14H,3-8,11H2,1-2H3
InChIKeyJMOLYOSXHBJCFT-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.02
Rot. Bonds3

About [3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone

[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone (PubChem CID 139006050) has the molecular formula C17H23N5O4S and a molecular weight of 393.47 g/mol. Its IUPAC name is [3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
PubChem CID139006050
Molecular FormulaC17H23N5O4S
Molecular Weight393.47 g/mol
Exact Mass393.15
IUPAC Name[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N1CCCC(N2CCCS2(=O)=O)C1
InChIInChI=1S/C17H23N5O4S/c1-12-15(19-16(26-12)13-9-18-20(2)10-13)17(23)21-6-3-5-14(11-21)22-7-4-8-27(22,24)25/h9-10,14H,3-8,11H2,1-2H3
InChIKeyJMOLYOSXHBJCFT-UHFFFAOYSA-N
XLogP1.02
TPSA101.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of [3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone (CID 139006050) is [3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone is Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCCC(N2CCCS2(=O)=O)C1.
What is the InChIKey of [3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
The InChIKey is JMOLYOSXHBJCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4S/c1-12-15(19-16(26-12)13-9-18-20(2)10-13)17(23)21-6-3-5-14(11-21)22-7-4-8-27(22,24)25/h9-10,14H,3-8,11H2,1-2H3.
What are the key properties of [3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone has a molecular weight of 393.47 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 139006050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).