N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide

C9H5F2N3OS — CID 103097885

IUPACN-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)nc1F)c1cscn1
InChIInChI=1S/C9H5F2N3OS/c10-7-2-1-5(8(11)14-7)13-9(15)6-3-16-4-12-6/h1-4H,(H,13,15)
InChIKeyZNLLROCYJWLNOM-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.07
Rot. Bonds2

About N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide

N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 103097885) has the molecular formula C9H5F2N3OS and a molecular weight of 241.22 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID103097885
Molecular FormulaC9H5F2N3OS
Molecular Weight241.22 g/mol
Exact Mass241.01
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)nc1F)c1cscn1
InChIInChI=1S/C9H5F2N3OS/c10-7-2-1-5(8(11)14-7)13-9(15)6-3-16-4-12-6/h1-4H,(H,13,15)
InChIKeyZNLLROCYJWLNOM-UHFFFAOYSA-N
XLogP2.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 75425983
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847
N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 82685689
2,4-dichloro-N-(2,6-difluoro-3-pyridinyl)benzamide
CID 103097683
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 103586232
N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 102848003
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477
N-(5-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 63235854
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
N-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide
CID 63024055
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
N-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide
CID 103097809

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 103097885) is N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(F)nc1F)c1cscn1.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZNLLROCYJWLNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N3OS/c10-7-2-1-5(8(11)14-7)13-9(15)6-3-16-4-12-6/h1-4H,(H,13,15).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide?
N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 241.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103097885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).