N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide

C13H16FN5OS — CID 105387914

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccnc(NN)c2F)n1
InChIInChI=1S/C13H16FN5OS/c1-13(2,3)8-6-21-12(17-8)18-11(20)7-4-5-16-10(19-15)9(7)14/h4-6H,15H2,1-3H3,(H,16,19)(H,17,18,20)
InChIKeyOYELOODLZQGPQV-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.51
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide (PubChem CID 105387914) has the molecular formula C13H16FN5OS and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
PubChem CID105387914
Molecular FormulaC13H16FN5OS
Molecular Weight309.37 g/mol
Exact Mass309.11
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccnc(NN)c2F)n1
InChIInChI=1S/C13H16FN5OS/c1-13(2,3)8-6-21-12(17-8)18-11(20)7-4-5-16-10(19-15)9(7)14/h4-6H,15H2,1-3H3,(H,16,19)(H,17,18,20)
InChIKeyOYELOODLZQGPQV-UHFFFAOYSA-N
XLogP2.51
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid
CID 105382066
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydrazinylpyridine-4-carboxamide
CID 105071707
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
CID 62237194
3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 105388401
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chloro-2-hydrazinylbenzamide
CID 62237022
N-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388598
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 105385432
5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 81316674
3-fluoro-2-hydrazinyl-N-(4-methyl-1,3-oxazol-2-yl)pyridine-4-carboxamide
CID 105388646
2-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 114326356
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385572

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide (CID 105387914) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide is CC(C)(C)c1csc(NC(=O)c2ccnc(NN)c2F)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The InChIKey is OYELOODLZQGPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5OS/c1-13(2,3)8-6-21-12(17-8)18-11(20)7-4-5-16-10(19-15)9(7)14/h4-6H,15H2,1-3H3,(H,16,19)(H,17,18,20).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 105387914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).