N-benzyl-3-methyl-1,3-thiazolidine-4-carboxamide

C12H16N2OS — CID 10243204

IUPACN-benzyl-3-methyl-1,3-thiazolidine-4-carboxamide
SMILESCN1CSCC1C(=O)NCc1ccccc1
InChIInChI=1S/C12H16N2OS/c1-14-9-16-8-11(14)12(15)13-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,15)
InChIKeyFLSANBMRCIJFRU-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.31
Rot. Bonds3

About N-benzyl-3-methyl-1,3-thiazolidine-4-carboxamide

N-benzyl-3-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 10243204) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-benzyl-3-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID10243204
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-benzyl-3-methyl-1,3-thiazolidine-4-carboxamide
SMILESCN1CSCC1C(=O)NCc1ccccc1
InChIInChI=1S/C12H16N2OS/c1-14-9-16-8-11(14)12(15)13-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,15)
InChIKeyFLSANBMRCIJFRU-UHFFFAOYSA-N
XLogP1.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-benzyl-3-methyl-1,3-thiazolidine-4-carboxamide (CID 10243204) is N-benzyl-3-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-benzyl-3-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-benzyl-3-methyl-1,3-thiazolidine-4-carboxamide is CN1CSCC1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is FLSANBMRCIJFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-14-9-16-8-11(14)12(15)13-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,15).
What are the key properties of N-benzyl-3-methyl-1,3-thiazolidine-4-carboxamide?
N-benzyl-3-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 10243204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).