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

C13H17N5OS — CID 105071707

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydrazinylpyridine-4-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccncc2NN)n1
InChIInChI=1S/C13H17N5OS/c1-13(2,3)10-7-20-12(16-10)17-11(19)8-4-5-15-6-9(8)18-14/h4-7,18H,14H2,1-3H3,(H,16,17,19)
InChIKeyNXWTTZJMYJDBNN-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.37
Rot. Bonds3

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

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydrazinylpyridine-4-carboxamide (PubChem CID 105071707) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydrazinylpyridine-4-carboxamide
PubChem CID105071707
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydrazinylpyridine-4-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccncc2NN)n1
InChIInChI=1S/C13H17N5OS/c1-13(2,3)10-7-20-12(16-10)17-11(19)8-4-5-15-6-9(8)18-14/h4-7,18H,14H2,1-3H3,(H,16,17,19)
InChIKeyNXWTTZJMYJDBNN-UHFFFAOYSA-N
XLogP2.37
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.37
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

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
CID 62237194
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chloro-2-hydrazinylbenzamide
CID 62237022
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387914
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
3-hydrazinyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 105071555
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 3372647
N-(4-tert-butyl-1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
CID 110475330
N-(4-methyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105068083
3-hydrazinyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 105071908
5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 81316674
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide
CID 60654609
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 4619806

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydrazinylpyridine-4-carboxamide (CID 105071707) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydrazinylpyridine-4-carboxamide is CC(C)(C)c1csc(NC(=O)c2ccncc2NN)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydrazinylpyridine-4-carboxamide?
The InChIKey is NXWTTZJMYJDBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-13(2,3)10-7-20-12(16-10)17-11(19)8-4-5-15-6-9(8)18-14/h4-7,18H,14H2,1-3H3,(H,16,17,19).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydrazinylpyridine-4-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydrazinylpyridine-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.37, 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-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 105071707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).