N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide

C7H9N3O2S — CID 130634316

IUPACN-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide
SMILESCNC(=O)C(=O)NCc1nccs1
InChIInChI=1S/C7H9N3O2S/c1-8-6(11)7(12)10-4-5-9-2-3-13-5/h2-3H,4H2,1H3,(H,8,11)(H,10,12)
InChIKeyYHWLDHIVJSZZID-UHFFFAOYSA-N
MW199.24 g/mol
LogP-0.49
Rot. Bonds2

About N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide

N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide (PubChem CID 130634316) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide
PubChem CID130634316
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC NameN-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide
SMILESCNC(=O)C(=O)NCc1nccs1
InChIInChI=1S/C7H9N3O2S/c1-8-6(11)7(12)10-4-5-9-2-3-13-5/h2-3H,4H2,1H3,(H,8,11)(H,10,12)
InChIKeyYHWLDHIVJSZZID-UHFFFAOYSA-N
XLogP-0.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110511
N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 67124836
3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 61284856
3-bromo-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110922
(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 79023405
2-oxo-2-piperazin-1-yl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 54962974
3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 75461199
2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110738852
2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283682
(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 104903307

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide?
The IUPAC name of N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide (CID 130634316) is N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide.
What is the SMILES notation for N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide?
The canonical SMILES for N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide is CNC(=O)C(=O)NCc1nccs1.
What is the InChIKey of N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide?
The InChIKey is YHWLDHIVJSZZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-8-6(11)7(12)10-4-5-9-2-3-13-5/h2-3H,4H2,1H3,(H,8,11)(H,10,12).
What are the key properties of N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide?
N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide has a molecular weight of 199.24 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide is sourced from PubChem (CID 130634316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).