N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-1,3-thiazolidine-4-carboxamide

C13H16BrN3O2S — CID 60962932

IUPACN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESNC(=O)CN(Cc1ccc(Br)cc1)C(=O)C1CSCN1
InChIInChI=1S/C13H16BrN3O2S/c14-10-3-1-9(2-4-10)5-17(6-12(15)18)13(19)11-7-20-8-16-11/h1-4,11,16H,5-8H2,(H2,15,18)
InChIKeySTFYPVNBWGHMOD-UHFFFAOYSA-N
MW358.26 g/mol
LogP0.93
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-1,3-thiazolidine-4-carboxamide

N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 60962932) has the molecular formula C13H16BrN3O2S and a molecular weight of 358.26 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID60962932
Molecular FormulaC13H16BrN3O2S
Molecular Weight358.26 g/mol
Exact Mass357.01
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESNC(=O)CN(Cc1ccc(Br)cc1)C(=O)C1CSCN1
InChIInChI=1S/C13H16BrN3O2S/c14-10-3-1-9(2-4-10)5-17(6-12(15)18)13(19)11-7-20-8-16-11/h1-4,11,16H,5-8H2,(H2,15,18)
InChIKeySTFYPVNBWGHMOD-UHFFFAOYSA-N
XLogP0.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-1,3-thiazolidine-4-carboxamide (CID 60962932) is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-1,3-thiazolidine-4-carboxamide is NC(=O)CN(Cc1ccc(Br)cc1)C(=O)C1CSCN1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is STFYPVNBWGHMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2S/c14-10-3-1-9(2-4-10)5-17(6-12(15)18)13(19)11-7-20-8-16-11/h1-4,11,16H,5-8H2,(H2,15,18).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-1,3-thiazolidine-4-carboxamide?
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 358.26 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 60962932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).