N-[(2-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide

C17H15N3O2S — CID 87040886

IUPACN-[(2-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCc1ccccc1OCc1ccccc1)c1cnsn1
InChIInChI=1S/C17H15N3O2S/c21-17(15-11-19-23-20-15)18-10-14-8-4-5-9-16(14)22-12-13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,18,21)
InChIKeyAZCGYNVWYSBKGD-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.05
Rot. Bonds6

About N-[(2-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide

N-[(2-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 87040886) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[(2-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID87040886
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-[(2-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCc1ccccc1OCc1ccccc1)c1cnsn1
InChIInChI=1S/C17H15N3O2S/c21-17(15-11-19-23-20-15)18-10-14-8-4-5-9-16(14)22-12-13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,18,21)
InChIKeyAZCGYNVWYSBKGD-UHFFFAOYSA-N
XLogP3.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 130158368
N-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide
CID 51123622
(2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride
CID 119296786
1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide
CID 75461382
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 55806275
5-methyl-N-[2-oxo-2-[(2-phenylmethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide
CID 55854158
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-[(2-phenylmethoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55806343
4-methoxy-2-(methoxymethyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55853752
N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109190160
N-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide
CID 18789573
2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 55806564

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[(2-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide (CID 87040886) is N-[(2-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[(2-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[(2-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide is O=C(NCc1ccccc1OCc1ccccc1)c1cnsn1.
What is the InChIKey of N-[(2-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is AZCGYNVWYSBKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-17(15-11-19-23-20-15)18-10-14-8-4-5-9-16(14)22-12-13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,18,21).
What are the key properties of N-[(2-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide?
N-[(2-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 87040886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).