N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide

C13H17N3O3S2 — CID 119276619

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1CSCN1
InChIInChI=1S/C13H17N3O3S2/c17-13(12-8-20-9-14-12)15-10-2-4-11(5-3-10)16-6-1-7-21(16,18)19/h2-5,12,14H,1,6-9H2,(H,15,17)
InChIKeyQPQMXRDUWLBWIM-UHFFFAOYSA-N
MW327.43 g/mol
LogP0.83
Rot. Bonds3

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119276619) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119276619
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1CSCN1
InChIInChI=1S/C13H17N3O3S2/c17-13(12-8-20-9-14-12)15-10-2-4-11(5-3-10)16-6-1-7-21(16,18)19/h2-5,12,14H,1,6-9H2,(H,15,17)
InChIKeyQPQMXRDUWLBWIM-UHFFFAOYSA-N
XLogP0.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide (CID 119276619) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide is O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1CSCN1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is QPQMXRDUWLBWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c17-13(12-8-20-9-14-12)15-10-2-4-11(5-3-10)16-6-1-7-21(16,18)19/h2-5,12,14H,1,6-9H2,(H,15,17).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119276619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).