N-dodecyl-N'-(thiadiazol-5-yl)oxamide

C16H28N4O2S — CID 166228092

IUPACN-dodecyl-N'-(thiadiazol-5-yl)oxamide
SMILESCCCCCCCCCCCCNC(=O)C(=O)Nc1cnns1
InChIInChI=1S/C16H28N4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-15(21)16(22)19-14-13-18-20-23-14/h13H,2-12H2,1H3,(H,17,21)(H,19,22)
InChIKeyYFDFFWXLUZXOKR-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.51
Rot. Bonds12

About N-dodecyl-N'-(thiadiazol-5-yl)oxamide

N-dodecyl-N'-(thiadiazol-5-yl)oxamide (PubChem CID 166228092) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-dodecyl-N'-(thiadiazol-5-yl)oxamide.

Molecular Properties

Compound NameN-dodecyl-N'-(thiadiazol-5-yl)oxamide
PubChem CID166228092
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC NameN-dodecyl-N'-(thiadiazol-5-yl)oxamide
SMILESCCCCCCCCCCCCNC(=O)C(=O)Nc1cnns1
InChIInChI=1S/C16H28N4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-15(21)16(22)19-14-13-18-20-23-14/h13H,2-12H2,1H3,(H,17,21)(H,19,22)
InChIKeyYFDFFWXLUZXOKR-UHFFFAOYSA-N
XLogP3.51
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.51
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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Related Compounds

N,N'-diheptyloxamide
CID 3417538
1-(4-sulfanylbutyl)-3-(thiadiazol-5-yl)urea
CID 118947666
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
1-(3-chloropropyl)-3-(thiadiazol-5-yl)urea
CID 118947678
ethyl N-(thiadiazol-5-yl)carbamate
CID 12707508
N-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide
CID 18983780
N'-(4-chlorophenyl)-N-nonyloxamide
CID 124542894
N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide
CID 3100446
2-(4-butoxyphenyl)-N-(thiadiazol-5-yl)acetamide
CID 166277902
N'-(3,5-dichlorophenyl)-N-pentyloxamide
CID 4625739
N'-(4-butoxyphenyl)-N-heptyloxamide
CID 17201915
N'-(2-chlorophenyl)-N-nonyloxamide
CID 126275868

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N'-(thiadiazol-5-yl)oxamide?
The IUPAC name of N-dodecyl-N'-(thiadiazol-5-yl)oxamide (CID 166228092) is N-dodecyl-N'-(thiadiazol-5-yl)oxamide.
What is the SMILES notation for N-dodecyl-N'-(thiadiazol-5-yl)oxamide?
The canonical SMILES for N-dodecyl-N'-(thiadiazol-5-yl)oxamide is CCCCCCCCCCCCNC(=O)C(=O)Nc1cnns1.
What is the InChIKey of N-dodecyl-N'-(thiadiazol-5-yl)oxamide?
The InChIKey is YFDFFWXLUZXOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-15(21)16(22)19-14-13-18-20-23-14/h13H,2-12H2,1H3,(H,17,21)(H,19,22).
What are the key properties of N-dodecyl-N'-(thiadiazol-5-yl)oxamide?
N-dodecyl-N'-(thiadiazol-5-yl)oxamide has a molecular weight of 340.49 g/mol, XLogP of 3.51, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N'-(thiadiazol-5-yl)oxamide is sourced from PubChem (CID 166228092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).