(4R)-3-benzoyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazolidine-4-carboxamide

C19H27N3O3S — CID 55939610

IUPAC(4R)-3-benzoyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazolidine-4-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C19H27N3O3S/c1-3-10-20-17(23)12-21(11-4-2)19(25)16-13-26-14-22(16)18(24)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyCTQSVNTUAYBCCN-INIZCTEOSA-N
MW377.51 g/mol
LogP1.97
Rot. Bonds8

About (4R)-3-benzoyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazolidine-4-carboxamide

(4R)-3-benzoyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazolidine-4-carboxamide (PubChem CID 55939610) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is (4R)-3-benzoyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-benzoyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazolidine-4-carboxamide
PubChem CID55939610
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name(4R)-3-benzoyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazolidine-4-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C19H27N3O3S/c1-3-10-20-17(23)12-21(11-4-2)19(25)16-13-26-14-22(16)18(24)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyCTQSVNTUAYBCCN-INIZCTEOSA-N
XLogP1.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzoyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-benzoyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazolidine-4-carboxamide (CID 55939610) is (4R)-3-benzoyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-benzoyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-benzoyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazolidine-4-carboxamide is CCCNC(=O)CN(CCC)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1.
What is the InChIKey of (4R)-3-benzoyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is CTQSVNTUAYBCCN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-3-10-20-17(23)12-21(11-4-2)19(25)16-13-26-14-22(16)18(24)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,20,23)/t16-/m0/s1.
What are the key properties of (4R)-3-benzoyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazolidine-4-carboxamide?
(4R)-3-benzoyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzoyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55939610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).