N-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide

C13H9N3OS — CID 972624

IUPACN-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1cnsn1
InChIInChI=1S/C13H9N3OS/c17-13(12-8-14-18-16-12)15-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,15,17)
InChIKeyGYTYZPUANOPING-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.94
Rot. Bonds2

About N-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide

N-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 972624) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is N-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide
PubChem CID972624
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC NameN-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1cnsn1
InChIInChI=1S/C13H9N3OS/c17-13(12-8-14-18-16-12)15-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,15,17)
InChIKeyGYTYZPUANOPING-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
6-hydrazinyl-N-naphthalen-1-ylpyridine-2-carboxamide
CID 62233223
N-naphthalen-1-yl-1H-imidazole-5-carboxamide
CID 110475305
6-methoxy-N-naphthalen-1-ylpyridine-2-carboxamide
CID 84580589
N-naphthalen-1-yl-4-sulfanylbenzamide
CID 107019782
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
4-amino-N-naphthalen-1-ylpyridine-2-carboxamide
CID 62152141
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N-naphthalen-1-yl-1H-pyrrole-2-carboxamide
CID 110461074
N-naphthalen-1-yl-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 84570262
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide (CID 972624) is N-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide is O=C(Nc1cccc2ccccc12)c1cnsn1.
What is the InChIKey of N-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is GYTYZPUANOPING-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS/c17-13(12-8-14-18-16-12)15-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,15,17).
What are the key properties of N-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide?
N-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 255.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 972624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).