N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide

C12H20N4O3S — CID 108518504

IUPACN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)NC1=NCCS1
InChIInChI=1S/C12H20N4O3S/c17-10(11(18)15-12-14-3-9-20-12)13-2-1-4-16-5-7-19-8-6-16/h1-9H2,(H,13,17)(H,14,15,18)
InChIKeyGYNPYRKKMCEFFK-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.96
Rot. Bonds4

About N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide

N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 108518504) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID108518504
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)NC1=NCCS1
InChIInChI=1S/C12H20N4O3S/c17-10(11(18)15-12-14-3-9-20-12)13-2-1-4-16-5-7-19-8-6-16/h1-9H2,(H,13,17)(H,14,15,18)
InChIKeyGYNPYRKKMCEFFK-UHFFFAOYSA-N
XLogP-0.96
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527494
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 7584971
N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374
N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
CID 108517732
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 5223166
N'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 18588587
N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide
CID 7585342
N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518449

Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide (CID 108518504) is N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide is O=C(NCCCN1CCOCC1)C(=O)NC1=NCCS1.
What is the InChIKey of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is GYNPYRKKMCEFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c17-10(11(18)15-12-14-3-9-20-12)13-2-1-4-16-5-7-19-8-6-16/h1-9H2,(H,13,17)(H,14,15,18).
What are the key properties of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide?
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 300.38 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 108518504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).