N-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide

C11H8N4O2S — CID 65215145

IUPACN-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide
SMILESN#CCOc1ccccc1NC(=O)c1cnns1
InChIInChI=1S/C11H8N4O2S/c12-5-6-17-9-4-2-1-3-8(9)14-11(16)10-7-13-15-18-10/h1-4,7H,6H2,(H,14,16)
InChIKeyFFVAXWHMZACBCR-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.69
Rot. Bonds4

About N-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide

N-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide (PubChem CID 65215145) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is N-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide
PubChem CID65215145
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC NameN-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide
SMILESN#CCOc1ccccc1NC(=O)c1cnns1
InChIInChI=1S/C11H8N4O2S/c12-5-6-17-9-4-2-1-3-8(9)14-11(16)10-7-13-15-18-10/h1-4,7H,6H2,(H,14,16)
InChIKeyFFVAXWHMZACBCR-UHFFFAOYSA-N
XLogP1.69
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 62958811
N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204415
N-[2-(cyanomethoxy)phenyl]furan-3-carboxamide
CID 43369380
N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830087
N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide
CID 103513721
3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide
CID 43369330
N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide
CID 43369387
N-[2-(3-aminoprop-1-ynyl)phenyl]thiadiazole-5-carboxamide
CID 65215727
N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107014799
1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea
CID 43437768
N-(2-ethoxyphenyl)-1,2-thiazole-5-carboxamide
CID 110692203
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]thiadiazole-5-carboxamide
CID 55881819

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide (CID 65215145) is N-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide is N#CCOc1ccccc1NC(=O)c1cnns1.
What is the InChIKey of N-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide?
The InChIKey is FFVAXWHMZACBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c12-5-6-17-9-4-2-1-3-8(9)14-11(16)10-7-13-15-18-10/h1-4,7H,6H2,(H,14,16).
What are the key properties of N-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide?
N-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide has a molecular weight of 260.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 65215145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).