N-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-carboxamide

C12H9FN4OS — CID 79953365

IUPACN-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C12H9FN4OS/c1-2-9-11(19-17-16-9)12(18)15-10-4-3-8(13)5-7(10)6-14/h3-5H,2H2,1H3,(H,15,18)
InChIKeyIPZDNRQQLMYNJR-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.36
Rot. Bonds3

About N-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-carboxamide

N-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 79953365) has the molecular formula C12H9FN4OS and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID79953365
Molecular FormulaC12H9FN4OS
Molecular Weight276.30 g/mol
Exact Mass276.05
IUPAC NameN-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C12H9FN4OS/c1-2-9-11(19-17-16-9)12(18)15-10-4-3-8(13)5-7(10)6-14/h3-5H,2H2,1H3,(H,15,18)
InChIKeyIPZDNRQQLMYNJR-UHFFFAOYSA-N
XLogP2.36
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-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-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
CID 65206200
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-ethylthiadiazole-5-carboxamide
CID 81252115
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide
CID 103614219
2-[(4-ethylthiadiazole-5-carbonyl)amino]-4,5-difluorobenzoic acid
CID 65205703
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide
CID 60812729
5-[(4-ethylthiadiazole-5-carbonyl)amino]-2,4-difluorobenzoic acid
CID 60748340
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid
CID 65206218
3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 103401716
N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide
CID 107301174
N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206339

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-carboxamide (CID 79953365) is N-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1ccc(F)cc1C#N.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is IPZDNRQQLMYNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4OS/c1-2-9-11(19-17-16-9)12(18)15-10-4-3-8(13)5-7(10)6-14/h3-5H,2H2,1H3,(H,15,18).
What are the key properties of N-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-carboxamide?
N-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 79953365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).