N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide

C9H6F2N4OS — CID 103098047

IUPACN-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C9H6F2N4OS/c1-4-7(17-15-14-4)9(16)12-5-2-3-6(10)13-8(5)11/h2-3H,1H3,(H,12,16)
InChIKeyJSINXNFAZKDNOW-UHFFFAOYSA-N
MW256.24 g/mol
LogP1.77
Rot. Bonds2

About N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide

N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 103098047) has the molecular formula C9H6F2N4OS and a molecular weight of 256.24 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide
PubChem CID103098047
Molecular FormulaC9H6F2N4OS
Molecular Weight256.24 g/mol
Exact Mass256.02
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C9H6F2N4OS/c1-4-7(17-15-14-4)9(16)12-5-2-3-6(10)13-8(5)11/h2-3H,1H3,(H,12,16)
InChIKeyJSINXNFAZKDNOW-UHFFFAOYSA-N
XLogP1.77
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579445
N-(2,6-difluoro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103097724
N-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide
CID 103097809
N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579448
N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide
CID 7576719
N-(4-amino-2,5-dimethylphenyl)-4-methylthiadiazole-5-carboxamide
CID 103144442
N-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide
CID 7576784
N-(2,6-difluoro-3-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 103098068
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide
CID 60812729
N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103479705
3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride
CID 65199616
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 20719818

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide (CID 103098047) is N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(F)nc1F.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is JSINXNFAZKDNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N4OS/c1-4-7(17-15-14-4)9(16)12-5-2-3-6(10)13-8(5)11/h2-3H,1H3,(H,12,16).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide?
N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 256.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 103098047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).