N-(5-chloro-1,3-thiazolidin-5-yl)propanamide

C6H11ClN2OS — CID 23189886

IUPACN-(5-chloro-1,3-thiazolidin-5-yl)propanamide
SMILESCCC(=O)NC1(Cl)CNCS1
InChIInChI=1S/C6H11ClN2OS/c1-2-5(10)9-6(7)3-8-4-11-6/h8H,2-4H2,1H3,(H,9,10)
InChIKeyRWEKZCZDNKQBTO-UHFFFAOYSA-N
MW194.69 g/mol
LogP0.70
Rot. Bonds2

About N-(5-chloro-1,3-thiazolidin-5-yl)propanamide

N-(5-chloro-1,3-thiazolidin-5-yl)propanamide (PubChem CID 23189886) has the molecular formula C6H11ClN2OS and a molecular weight of 194.69 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazolidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazolidin-5-yl)propanamide
PubChem CID23189886
Molecular FormulaC6H11ClN2OS
Molecular Weight194.69 g/mol
Exact Mass194.03
IUPAC NameN-(5-chloro-1,3-thiazolidin-5-yl)propanamide
SMILESCCC(=O)NC1(Cl)CNCS1
InChIInChI=1S/C6H11ClN2OS/c1-2-5(10)9-6(7)3-8-4-11-6/h8H,2-4H2,1H3,(H,9,10)
InChIKeyRWEKZCZDNKQBTO-UHFFFAOYSA-N
XLogP0.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.69
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazolidin-5-yl)propanamide?
The IUPAC name of N-(5-chloro-1,3-thiazolidin-5-yl)propanamide (CID 23189886) is N-(5-chloro-1,3-thiazolidin-5-yl)propanamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazolidin-5-yl)propanamide?
The canonical SMILES for N-(5-chloro-1,3-thiazolidin-5-yl)propanamide is CCC(=O)NC1(Cl)CNCS1.
What is the InChIKey of N-(5-chloro-1,3-thiazolidin-5-yl)propanamide?
The InChIKey is RWEKZCZDNKQBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2OS/c1-2-5(10)9-6(7)3-8-4-11-6/h8H,2-4H2,1H3,(H,9,10).
What are the key properties of N-(5-chloro-1,3-thiazolidin-5-yl)propanamide?
N-(5-chloro-1,3-thiazolidin-5-yl)propanamide has a molecular weight of 194.69 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazolidin-5-yl)propanamide is sourced from PubChem (CID 23189886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).