N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide

C19H35N3OS — CID 5080643

IUPACN-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCCCCCCCCCCCc1nnc(NC(C)=O)s1
InChIInChI=1S/C19H35N3OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-22-19(24-18)20-17(2)23/h3-16H2,1-2H3,(H,20,22,23)
InChIKeyNIRYQNYFZGDFIG-UHFFFAOYSA-N
MW353.58 g/mol
LogP6.13
Rot. Bonds15

About N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide

N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 5080643) has the molecular formula C19H35N3OS and a molecular weight of 353.58 g/mol. Its IUPAC name is N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID5080643
Molecular FormulaC19H35N3OS
Molecular Weight353.58 g/mol
Exact Mass353.25
IUPAC NameN-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCCCCCCCCCCCc1nnc(NC(C)=O)s1
InChIInChI=1S/C19H35N3OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-22-19(24-18)20-17(2)23/h3-16H2,1-2H3,(H,20,22,23)
InChIKeyNIRYQNYFZGDFIG-UHFFFAOYSA-N
XLogP6.13
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.58
LogP ≤ 56.13
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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Related Compounds

N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 2008219
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 18089744
ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate
CID 144633513
pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate
CID 2207802
N-(5-octyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 166191053
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 26209843
ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate
CID 121088928
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669

Frequently Asked Questions

What is the IUPAC name of N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide (CID 5080643) is N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCCCCCCCCCCCCc1nnc(NC(C)=O)s1.
What is the InChIKey of N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is NIRYQNYFZGDFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-22-19(24-18)20-17(2)23/h3-16H2,1-2H3,(H,20,22,23).
What are the key properties of N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide?
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 353.58 g/mol, XLogP of 6.13, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 5080643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).