N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide

C8H9N3O2S — CID 6902001

IUPACN'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
SMILESCc1ccsc1/C=N/NC(=O)C(N)=O
InChIInChI=1S/C8H9N3O2S/c1-5-2-3-14-6(5)4-10-11-8(13)7(9)12/h2-4H,1H3,(H2,9,12)(H,11,13)/b10-4+
InChIKeyWQJBRMHQEDHZLR-ONNFQVAWSA-N
MW211.25 g/mol
LogP-0.01
Rot. Bonds2

About N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide

N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide (PubChem CID 6902001) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
PubChem CID6902001
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC NameN'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
SMILESCc1ccsc1/C=N/NC(=O)C(N)=O
InChIInChI=1S/C8H9N3O2S/c1-5-2-3-14-6(5)4-10-11-8(13)7(9)12/h2-4H,1H3,(H2,9,12)(H,11,13)/b10-4+
InChIKeyWQJBRMHQEDHZLR-ONNFQVAWSA-N
XLogP-0.01
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
The IUPAC name of N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide (CID 6902001) is N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide.
What is the SMILES notation for N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
The canonical SMILES for N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide is Cc1ccsc1/C=N/NC(=O)C(N)=O.
What is the InChIKey of N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
The InChIKey is WQJBRMHQEDHZLR-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-5-2-3-14-6(5)4-10-11-8(13)7(9)12/h2-4H,1H3,(H2,9,12)(H,11,13)/b10-4+.
What are the key properties of N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide has a molecular weight of 211.25 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide is sourced from PubChem (CID 6902001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).