N-(4-naphthalen-1-yloxybut-2-ynyl)-4-propylthiadiazole-5-carboxamide

C20H19N3O2S — CID 90578211

IUPACN-(4-naphthalen-1-yloxybut-2-ynyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC#CCOc1cccc2ccccc12
InChIInChI=1S/C20H19N3O2S/c1-2-8-17-19(26-23-22-17)20(24)21-13-5-6-14-25-18-12-7-10-15-9-3-4-11-16(15)18/h3-4,7,9-12H,2,8,13-14H2,1H3,(H,21,24)
InChIKeyWDQGIBFNSWFKCK-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.46
Rot. Bonds6

About N-(4-naphthalen-1-yloxybut-2-ynyl)-4-propylthiadiazole-5-carboxamide

N-(4-naphthalen-1-yloxybut-2-ynyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 90578211) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(4-naphthalen-1-yloxybut-2-ynyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-naphthalen-1-yloxybut-2-ynyl)-4-propylthiadiazole-5-carboxamide
PubChem CID90578211
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-(4-naphthalen-1-yloxybut-2-ynyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC#CCOc1cccc2ccccc12
InChIInChI=1S/C20H19N3O2S/c1-2-8-17-19(26-23-22-17)20(24)21-13-5-6-14-25-18-12-7-10-15-9-3-4-11-16(15)18/h3-4,7,9-12H,2,8,13-14H2,1H3,(H,21,24)
InChIKeyWDQGIBFNSWFKCK-UHFFFAOYSA-N
XLogP3.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-acetamidophenoxy)but-2-ynyl]-4-propylthiadiazole-5-carboxamide
CID 90577411
N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
CID 90578060
5-(furan-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide
CID 90577990
4-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578167
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide
CID 90578043
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide
CID 90578198
5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide
CID 90578147
3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide
CID 90578056
2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578119
N-(4-naphthalen-1-yloxybut-2-ynyl)-3H-benzimidazole-5-carboxamide
CID 90578009
N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide
CID 121131597
2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578113

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-yloxybut-2-ynyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-naphthalen-1-yloxybut-2-ynyl)-4-propylthiadiazole-5-carboxamide (CID 90578211) is N-(4-naphthalen-1-yloxybut-2-ynyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-naphthalen-1-yloxybut-2-ynyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-naphthalen-1-yloxybut-2-ynyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCC#CCOc1cccc2ccccc12.
What is the InChIKey of N-(4-naphthalen-1-yloxybut-2-ynyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is WDQGIBFNSWFKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-2-8-17-19(26-23-22-17)20(24)21-13-5-6-14-25-18-12-7-10-15-9-3-4-11-16(15)18/h3-4,7,9-12H,2,8,13-14H2,1H3,(H,21,24).
What are the key properties of N-(4-naphthalen-1-yloxybut-2-ynyl)-4-propylthiadiazole-5-carboxamide?
N-(4-naphthalen-1-yloxybut-2-ynyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-yloxybut-2-ynyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 90578211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).