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

C16H21N3O3S2 — CID 71800793

IUPAC1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1csc(SCC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)n1
InChIInChI=1S/C16H21N3O3S2/c1-11-9-23-16(17-11)24-10-12-4-6-18(7-5-12)15(22)8-19-13(20)2-3-14(19)21/h9,12H,2-8,10H2,1H3
InChIKeyWFCFSFPQANLRKW-UHFFFAOYSA-N
MW367.50 g/mol
LogP1.93
Rot. Bonds5

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

1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 71800793) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID71800793
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC Name1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1csc(SCC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)n1
InChIInChI=1S/C16H21N3O3S2/c1-11-9-23-16(17-11)24-10-12-4-6-18(7-5-12)15(22)8-19-13(20)2-3-14(19)21/h9,12H,2-8,10H2,1H3
InChIKeyWFCFSFPQANLRKW-UHFFFAOYSA-N
XLogP1.93
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 71800793) is 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is Cc1csc(SCC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)n1.
What is the InChIKey of 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is WFCFSFPQANLRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-11-9-23-16(17-11)24-10-12-4-6-18(7-5-12)15(22)8-19-13(20)2-3-14(19)21/h9,12H,2-8,10H2,1H3.
What are the key properties of 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 367.50 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 71800793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).