N-(3-methoxypropyl)-N'-(1,3-thiazol-2-yl)oxamide

C9H13N3O3S — CID 5061851

IUPACN-(3-methoxypropyl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESCOCCCNC(=O)C(=O)Nc1nccs1
InChIInChI=1S/C9H13N3O3S/c1-15-5-2-3-10-7(13)8(14)12-9-11-4-6-16-9/h4,6H,2-3,5H2,1H3,(H,10,13)(H,11,12,14)
InChIKeyNWLGDELFWODENJ-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.23
Rot. Bonds5

About N-(3-methoxypropyl)-N'-(1,3-thiazol-2-yl)oxamide

N-(3-methoxypropyl)-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 5061851) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N'-(1,3-thiazol-2-yl)oxamide
PubChem CID5061851
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC NameN-(3-methoxypropyl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESCOCCCNC(=O)C(=O)Nc1nccs1
InChIInChI=1S/C9H13N3O3S/c1-15-5-2-3-10-7(13)8(14)12-9-11-4-6-16-9/h4,6H,2-3,5H2,1H3,(H,10,13)(H,11,12,14)
InChIKeyNWLGDELFWODENJ-UHFFFAOYSA-N
XLogP0.23
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N'-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-(3-methoxypropyl)-N'-(1,3-thiazol-2-yl)oxamide (CID 5061851) is N-(3-methoxypropyl)-N'-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N'-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-(3-methoxypropyl)-N'-(1,3-thiazol-2-yl)oxamide is COCCCNC(=O)C(=O)Nc1nccs1.
What is the InChIKey of N-(3-methoxypropyl)-N'-(1,3-thiazol-2-yl)oxamide?
The InChIKey is NWLGDELFWODENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-15-5-2-3-10-7(13)8(14)12-9-11-4-6-16-9/h4,6H,2-3,5H2,1H3,(H,10,13)(H,11,12,14).
What are the key properties of N-(3-methoxypropyl)-N'-(1,3-thiazol-2-yl)oxamide?
N-(3-methoxypropyl)-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 243.29 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 5061851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).