N',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide

C12H17N3O2S — CID 94846890

IUPACN',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide
SMILESCCN(CC)C(=O)C(=O)N/N=C\c1sccc1C
InChIInChI=1S/C12H17N3O2S/c1-4-15(5-2)12(17)11(16)14-13-8-10-9(3)6-7-18-10/h6-8H,4-5H2,1-3H3,(H,14,16)/b13-8-
InChIKeyDAYGAIXURKRIKM-JYRVWZFOSA-N
MW267.35 g/mol
LogP1.38
Rot. Bonds4

About N',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide

N',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide (PubChem CID 94846890) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide
PubChem CID94846890
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide
SMILESCCN(CC)C(=O)C(=O)N/N=C\c1sccc1C
InChIInChI=1S/C12H17N3O2S/c1-4-15(5-2)12(17)11(16)14-13-8-10-9(3)6-7-18-10/h6-8H,4-5H2,1-3H3,(H,14,16)/b13-8-
InChIKeyDAYGAIXURKRIKM-JYRVWZFOSA-N
XLogP1.38
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
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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Related Compounds

N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide
CID 6385345
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide
CID 6873587
N-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 19659662
N-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 126002866
3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]butanamide
CID 3481612
N',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136801991
N-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 6880599
N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide
CID 94846881
N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide
CID 5115674
N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 6391153
2,5-dimethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 5412705
(E)-N,N-diethyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 60635971

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
The IUPAC name of N',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide (CID 94846890) is N',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide.
What is the SMILES notation for N',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
The canonical SMILES for N',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide is CCN(CC)C(=O)C(=O)N/N=C\c1sccc1C.
What is the InChIKey of N',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
The InChIKey is DAYGAIXURKRIKM-JYRVWZFOSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-4-15(5-2)12(17)11(16)14-13-8-10-9(3)6-7-18-10/h6-8H,4-5H2,1-3H3,(H,14,16)/b13-8-.
What are the key properties of N',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
N',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide has a molecular weight of 267.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide is sourced from PubChem (CID 94846890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).