5-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1,3-thiazolidine-2,4-dione

C17H21N3O4S2 — CID 110220605

IUPAC5-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCC(=O)c1sc(C2CCN(C(=O)CC3SC(=O)N(C)C3=O)CC2)nc1C
InChIInChI=1S/C17H21N3O4S2/c1-9-14(10(2)21)26-15(18-9)11-4-6-20(7-5-11)13(22)8-12-16(23)19(3)17(24)25-12/h11-12H,4-8H2,1-3H3
InChIKeyDIDMPIXABHCZRH-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.44
Rot. Bonds4

About 5-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1,3-thiazolidine-2,4-dione

5-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 110220605) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 5-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID110220605
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC Name5-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCC(=O)c1sc(C2CCN(C(=O)CC3SC(=O)N(C)C3=O)CC2)nc1C
InChIInChI=1S/C17H21N3O4S2/c1-9-14(10(2)21)26-15(18-9)11-4-6-20(7-5-11)13(22)8-12-16(23)19(3)17(24)25-12/h11-12H,4-8H2,1-3H3
InChIKeyDIDMPIXABHCZRH-UHFFFAOYSA-N
XLogP2.44
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1,3-thiazolidine-2,4-dione (CID 110220605) is 5-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1,3-thiazolidine-2,4-dione is CC(=O)c1sc(C2CCN(C(=O)CC3SC(=O)N(C)C3=O)CC2)nc1C.
What is the InChIKey of 5-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is DIDMPIXABHCZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-9-14(10(2)21)26-15(18-9)11-4-6-20(7-5-11)13(22)8-12-16(23)19(3)17(24)25-12/h11-12H,4-8H2,1-3H3.
What are the key properties of 5-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1,3-thiazolidine-2,4-dione?
5-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 395.51 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 110220605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).