N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)dodecanamide

C16H29N3OS2 — CID 3276028

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1nnc(SCC)s1
InChIInChI=1S/C16H29N3OS2/c1-3-5-6-7-8-9-10-11-12-13-14(20)17-15-18-19-16(22-15)21-4-2/h3-13H2,1-2H3,(H,17,18,20)
InChIKeyATSPFHNUUMPCLP-UHFFFAOYSA-N
MW343.56 g/mol
LogP5.51
Rot. Bonds13

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)dodecanamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)dodecanamide (PubChem CID 3276028) has the molecular formula C16H29N3OS2 and a molecular weight of 343.56 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)dodecanamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)dodecanamide
PubChem CID3276028
Molecular FormulaC16H29N3OS2
Molecular Weight343.56 g/mol
Exact Mass343.18
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1nnc(SCC)s1
InChIInChI=1S/C16H29N3OS2/c1-3-5-6-7-8-9-10-11-12-13-14(20)17-15-18-19-16(22-15)21-4-2/h3-13H2,1-2H3,(H,17,18,20)
InChIKeyATSPFHNUUMPCLP-UHFFFAOYSA-N
XLogP5.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)undec-10-enamide
CID 5128441
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 5179103
N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
CID 5078577
N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide
CID 114754330
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
3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,1-dimethylurea
CID 154417531
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
CID 19228550
N-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pentanamide
CID 7410041
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 2397239
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)dodecanamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)dodecanamide (CID 3276028) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)dodecanamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)dodecanamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)dodecanamide is CCCCCCCCCCCC(=O)Nc1nnc(SCC)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)dodecanamide?
The InChIKey is ATSPFHNUUMPCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS2/c1-3-5-6-7-8-9-10-11-12-13-14(20)17-15-18-19-16(22-15)21-4-2/h3-13H2,1-2H3,(H,17,18,20).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)dodecanamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)dodecanamide has a molecular weight of 343.56 g/mol, XLogP of 5.51, 13 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)dodecanamide is sourced from PubChem (CID 3276028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).