N'-(4-methylthiophen-3-yl)oxamide

C7H8N2O2S — CID 131086394

IUPACN'-(4-methylthiophen-3-yl)oxamide
SMILESCc1cscc1NC(=O)C(N)=O
InChIInChI=1S/C7H8N2O2S/c1-4-2-12-3-5(4)9-7(11)6(8)10/h2-3H,1H3,(H2,8,10)(H,9,11)
InChIKeyKCIJZVWPOCIUQL-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.48
Rot. Bonds1

About N'-(4-methylthiophen-3-yl)oxamide

N'-(4-methylthiophen-3-yl)oxamide (PubChem CID 131086394) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is N'-(4-methylthiophen-3-yl)oxamide.

Molecular Properties

Compound NameN'-(4-methylthiophen-3-yl)oxamide
PubChem CID131086394
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC NameN'-(4-methylthiophen-3-yl)oxamide
SMILESCc1cscc1NC(=O)C(N)=O
InChIInChI=1S/C7H8N2O2S/c1-4-2-12-3-5(4)9-7(11)6(8)10/h2-3H,1H3,(H2,8,10)(H,9,11)
InChIKeyKCIJZVWPOCIUQL-UHFFFAOYSA-N
XLogP0.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methylthiophen-3-yl)thiourea
CID 130773944
1-methyl-3-(4-methylthiophen-3-yl)urea
CID 131044055
ethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide
CID 143490448
N-(2,5-dimethylpyrazol-3-yl)-N'-(4-methylthiophen-3-yl)oxamide
CID 91650906
2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide
CID 131043496
2-bromo-N-(4-methylthiophen-3-yl)propanamide
CID 131183167
N-(4-cyanophenyl)-N'-(4-methylthiophen-3-yl)oxamide
CID 91650907
N'-(2,3,4-trimethylphenyl)oxamide
CID 115191617
1-(4-methylthiophen-3-yl)-2-propan-2-ylguanidine
CID 130892518
N-(4-methylthiophen-3-yl)cyclobutanecarboxamide
CID 130670865
3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide
CID 130979130
(4-methylthiophen-3-yl)hydrazine;hydrochloride
CID 55281111

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylthiophen-3-yl)oxamide?
The IUPAC name of N'-(4-methylthiophen-3-yl)oxamide (CID 131086394) is N'-(4-methylthiophen-3-yl)oxamide.
What is the SMILES notation for N'-(4-methylthiophen-3-yl)oxamide?
The canonical SMILES for N'-(4-methylthiophen-3-yl)oxamide is Cc1cscc1NC(=O)C(N)=O.
What is the InChIKey of N'-(4-methylthiophen-3-yl)oxamide?
The InChIKey is KCIJZVWPOCIUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-4-2-12-3-5(4)9-7(11)6(8)10/h2-3H,1H3,(H2,8,10)(H,9,11).
What are the key properties of N'-(4-methylthiophen-3-yl)oxamide?
N'-(4-methylthiophen-3-yl)oxamide has a molecular weight of 184.22 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylthiophen-3-yl)oxamide is sourced from PubChem (CID 131086394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).