N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide

C24H39N3OS2 — CID 108744035

IUPACN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C24H39N3OS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(28)25-24-27-26-23(30-24)21-18-17-20-29-21/h17-18,20H,2-16,19H2,1H3,(H,25,27,28)
InChIKeyNQQRBNOGGDDHBW-UHFFFAOYSA-N
MW449.73 g/mol
LogP8.47
Rot. Bonds18

About N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide

N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide (PubChem CID 108744035) has the molecular formula C24H39N3OS2 and a molecular weight of 449.73 g/mol. Its IUPAC name is N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide.

Molecular Properties

Compound NameN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide
PubChem CID108744035
Molecular FormulaC24H39N3OS2
Molecular Weight449.73 g/mol
Exact Mass449.25
IUPAC NameN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C24H39N3OS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(28)25-24-27-26-23(30-24)21-18-17-20-29-21/h17-18,20H,2-16,19H2,1H3,(H,25,27,28)
InChIKeyNQQRBNOGGDDHBW-UHFFFAOYSA-N
XLogP8.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.73
LogP ≤ 58.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]heptanamide
CID 3116147
N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
CID 5078577
2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 108744057
2,2-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 1080990
N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide
CID 114754330
6-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)hexanamide
CID 108744031
2-(4-methylphenyl)sulfanyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2201339
4-(4-bromo-2-chlorophenoxy)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 108766413
4-(2-bromo-4-chlorophenoxy)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 108766421
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987
2-methylpropyl N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)carbamate
CID 108744061
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904

Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide?
The IUPAC name of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide (CID 108744035) is N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide.
What is the SMILES notation for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide?
The canonical SMILES for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)Nc1nnc(-c2cccs2)s1.
What is the InChIKey of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide?
The InChIKey is NQQRBNOGGDDHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3OS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(28)25-24-27-26-23(30-24)21-18-17-20-29-21/h17-18,20H,2-16,19H2,1H3,(H,25,27,28).
What are the key properties of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide?
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide has a molecular weight of 449.73 g/mol, XLogP of 8.47, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide is sourced from PubChem (CID 108744035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).