N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)undec-10-enamide

C15H25N3OS2 — CID 5128441

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)undec-10-enamide
SMILESC=CCCCCCCCCC(=O)Nc1nnc(SCC)s1
InChIInChI=1S/C15H25N3OS2/c1-3-5-6-7-8-9-10-11-12-13(19)16-14-17-18-15(21-14)20-4-2/h3H,1,4-12H2,2H3,(H,16,17,19)
InChIKeySRYCNQYRODIFNE-UHFFFAOYSA-N
MW327.52 g/mol
LogP4.90
Rot. Bonds12

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)undec-10-enamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)undec-10-enamide (PubChem CID 5128441) has the molecular formula C15H25N3OS2 and a molecular weight of 327.52 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)undec-10-enamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)undec-10-enamide
PubChem CID5128441
Molecular FormulaC15H25N3OS2
Molecular Weight327.52 g/mol
Exact Mass327.14
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)undec-10-enamide
SMILESC=CCCCCCCCCC(=O)Nc1nnc(SCC)s1
InChIInChI=1S/C15H25N3OS2/c1-3-5-6-7-8-9-10-11-12-13(19)16-14-17-18-15(21-14)20-4-2/h3H,1,4-12H2,2H3,(H,16,17,19)
InChIKeySRYCNQYRODIFNE-UHFFFAOYSA-N
XLogP4.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)octanamide
CID 3492892
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)dodecanamide
CID 3276028
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17136393
7-[[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]amino]-7-oxoheptanoic acid
CID 166394237
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 19229294
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 5179103
3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,1-dimethylurea
CID 154417531
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 2397239
2-(cyanomethylsulfanyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 43068920
2-(4-bromophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1245551
3-(4-ethoxyphenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 19229524
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2641026

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)undec-10-enamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)undec-10-enamide (CID 5128441) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)undec-10-enamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)undec-10-enamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)undec-10-enamide is C=CCCCCCCCCC(=O)Nc1nnc(SCC)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)undec-10-enamide?
The InChIKey is SRYCNQYRODIFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS2/c1-3-5-6-7-8-9-10-11-12-13(19)16-14-17-18-15(21-14)20-4-2/h3H,1,4-12H2,2H3,(H,16,17,19).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)undec-10-enamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)undec-10-enamide has a molecular weight of 327.52 g/mol, XLogP of 4.90, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)undec-10-enamide is sourced from PubChem (CID 5128441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).