N-(2-morpholin-4-ylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide

C15H27N3O3S — CID 42744751

IUPACN-(2-morpholin-4-ylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCC(=O)N1CSCC1C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H27N3O3S/c1-2-3-4-14(19)18-12-22-11-13(18)15(20)16-5-6-17-7-9-21-10-8-17/h13H,2-12H2,1H3,(H,16,20)
InChIKeyXSDHMWFKJWCYKW-UHFFFAOYSA-N
MW329.47 g/mol
LogP0.53
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide

N-(2-morpholin-4-ylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide (PubChem CID 42744751) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide
PubChem CID42744751
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC NameN-(2-morpholin-4-ylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCC(=O)N1CSCC1C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H27N3O3S/c1-2-3-4-14(19)18-12-22-11-13(18)15(20)16-5-6-17-7-9-21-10-8-17/h13H,2-12H2,1H3,(H,16,20)
InChIKeyXSDHMWFKJWCYKW-UHFFFAOYSA-N
XLogP0.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide (CID 42744751) is N-(2-morpholin-4-ylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide is CCCCC(=O)N1CSCC1C(=O)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is XSDHMWFKJWCYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-2-3-4-14(19)18-12-22-11-13(18)15(20)16-5-6-17-7-9-21-10-8-17/h13H,2-12H2,1H3,(H,16,20).
What are the key properties of N-(2-morpholin-4-ylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide?
N-(2-morpholin-4-ylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).