N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide

C12H21N3OS — CID 5078577

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
SMILESCCCCCCCCC(=O)Nc1nnc(C)s1
InChIInChI=1S/C12H21N3OS/c1-3-4-5-6-7-8-9-11(16)13-12-15-14-10(2)17-12/h3-9H2,1-2H3,(H,13,15,16)
InChIKeyACASJJUEAJVEBT-UHFFFAOYSA-N
MW255.39 g/mol
LogP3.54
Rot. Bonds8

About N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide (PubChem CID 5078577) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
PubChem CID5078577
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
SMILESCCCCCCCCC(=O)Nc1nnc(C)s1
InChIInChI=1S/C12H21N3OS/c1-3-4-5-6-7-8-9-11(16)13-12-15-14-10(2)17-12/h3-9H2,1-2H3,(H,13,15,16)
InChIKeyACASJJUEAJVEBT-UHFFFAOYSA-N
XLogP3.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide (CID 5078577) is N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide is CCCCCCCCC(=O)Nc1nnc(C)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide?
The InChIKey is ACASJJUEAJVEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-4-5-6-7-8-9-11(16)13-12-15-14-10(2)17-12/h3-9H2,1-2H3,(H,13,15,16).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide has a molecular weight of 255.39 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide is sourced from PubChem (CID 5078577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).