N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide

C17H12N4O2S — CID 87010307

IUPACN-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)c3cnsn3)c2)c1
InChIInChI=1S/C17H12N4O2S/c18-9-12-3-1-4-13(7-12)11-23-15-6-2-5-14(8-15)20-17(22)16-10-19-24-21-16/h1-8,10H,11H2,(H,20,22)
InChIKeyITCZBXAGZVYVLG-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.24
Rot. Bonds5

About N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide

N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 87010307) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID87010307
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)c3cnsn3)c2)c1
InChIInChI=1S/C17H12N4O2S/c18-9-12-3-1-4-13(7-12)11-23-15-6-2-5-14(8-15)20-17(22)16-10-19-24-21-16/h1-8,10H,11H2,(H,20,22)
InChIKeyITCZBXAGZVYVLG-UHFFFAOYSA-N
XLogP3.24
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 39501157
6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172
4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide
CID 60512198
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
CID 39501116
N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 39500262
4-bromo-N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55689113
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39500397
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907346
2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39501061
3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide
CID 55962072
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970
N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 60525120

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide (CID 87010307) is N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide is N#Cc1cccc(COc2cccc(NC(=O)c3cnsn3)c2)c1.
What is the InChIKey of N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is ITCZBXAGZVYVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c18-9-12-3-1-4-13(7-12)11-23-15-6-2-5-14(8-15)20-17(22)16-10-19-24-21-16/h1-8,10H,11H2,(H,20,22).
What are the key properties of N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide?
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 87010307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).