(4R)-N,N-diethyl-3-[2-(methoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide

C17H24N2O3S — CID 95569010

IUPAC(4R)-N,N-diethyl-3-[2-(methoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1COC
InChIInChI=1S/C17H24N2O3S/c1-4-18(5-2)17(21)15-11-23-12-19(15)16(20)14-9-7-6-8-13(14)10-22-3/h6-9,15H,4-5,10-12H2,1-3H3/t15-/m0/s1
InChIKeyXQIBHTIDJZZCOR-HNNXBMFYSA-N
MW336.46 g/mol
LogP2.22
Rot. Bonds6

About (4R)-N,N-diethyl-3-[2-(methoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide

(4R)-N,N-diethyl-3-[2-(methoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95569010) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (4R)-N,N-diethyl-3-[2-(methoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N,N-diethyl-3-[2-(methoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide
PubChem CID95569010
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(4R)-N,N-diethyl-3-[2-(methoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1COC
InChIInChI=1S/C17H24N2O3S/c1-4-18(5-2)17(21)15-11-23-12-19(15)16(20)14-9-7-6-8-13(14)10-22-3/h6-9,15H,4-5,10-12H2,1-3H3/t15-/m0/s1
InChIKeyXQIBHTIDJZZCOR-HNNXBMFYSA-N
XLogP2.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-N,N-diethyl-3-[2-(methoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N,N-diethyl-3-[2-(methoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide (CID 95569010) is (4R)-N,N-diethyl-3-[2-(methoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N,N-diethyl-3-[2-(methoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N,N-diethyl-3-[2-(methoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide is CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1COC.
What is the InChIKey of (4R)-N,N-diethyl-3-[2-(methoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is XQIBHTIDJZZCOR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-4-18(5-2)17(21)15-11-23-12-19(15)16(20)14-9-7-6-8-13(14)10-22-3/h6-9,15H,4-5,10-12H2,1-3H3/t15-/m0/s1.
What are the key properties of (4R)-N,N-diethyl-3-[2-(methoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide?
(4R)-N,N-diethyl-3-[2-(methoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N,N-diethyl-3-[2-(methoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95569010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).