N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide

C13H14FN3OS — CID 113323542

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2cccc(F)n2)n1
InChIInChI=1S/C13H14FN3OS/c1-13(2,3)9-7-19-12(16-9)17-11(18)8-5-4-6-10(14)15-8/h4-7H,1-3H3,(H,16,17,18)
InChIKeyALCKWHGHTONHPV-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.23
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide (PubChem CID 113323542) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide
PubChem CID113323542
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2cccc(F)n2)n1
InChIInChI=1S/C13H14FN3OS/c1-13(2,3)9-7-19-12(16-9)17-11(18)8-5-4-6-10(14)15-8/h4-7H,1-3H3,(H,16,17,18)
InChIKeyALCKWHGHTONHPV-UHFFFAOYSA-N
XLogP3.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.23
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-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 81316674
6-fluoro-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 115496715
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 86975559
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 17394808
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
CID 62237194
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
CID 78948952
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide
CID 103956653
5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 60725123
3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369370
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-carbamothioylpyridine-2-carboxamide
CID 63749555

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide (CID 113323542) is N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide is CC(C)(C)c1csc(NC(=O)c2cccc(F)n2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide?
The InChIKey is ALCKWHGHTONHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-13(2,3)9-7-19-12(16-9)17-11(18)8-5-4-6-10(14)15-8/h4-7H,1-3H3,(H,16,17,18).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 113323542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).