N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-oxoacetamide

C9H13N3O3S — CID 108509759

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-oxoacetamide
SMILESO=C(NC1=NCCS1)C(=O)N1CCOCC1
InChIInChI=1S/C9H13N3O3S/c13-7(11-9-10-1-6-16-9)8(14)12-2-4-15-5-3-12/h1-6H2,(H,10,11,13)
InChIKeyUPIKZNBIJAKVOR-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.94
Rot. Bonds

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-oxoacetamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-oxoacetamide (PubChem CID 108509759) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-oxoacetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-oxoacetamide
PubChem CID108509759
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-oxoacetamide
SMILESO=C(NC1=NCCS1)C(=O)N1CCOCC1
InChIInChI=1S/C9H13N3O3S/c13-7(11-9-10-1-6-16-9)8(14)12-2-4-15-5-3-12/h1-6H2,(H,10,11,13)
InChIKeyUPIKZNBIJAKVOR-UHFFFAOYSA-N
XLogP-0.94
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-oxoacetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-oxoacetamide (CID 108509759) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-oxoacetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-oxoacetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-oxoacetamide is O=C(NC1=NCCS1)C(=O)N1CCOCC1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-oxoacetamide?
The InChIKey is UPIKZNBIJAKVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c13-7(11-9-10-1-6-16-9)8(14)12-2-4-15-5-3-12/h1-6H2,(H,10,11,13).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-oxoacetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-oxoacetamide has a molecular weight of 243.29 g/mol, XLogP of -0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-oxoacetamide is sourced from PubChem (CID 108509759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).