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

C14H18N4OS — CID 62237194

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccccc2NN)n1
InChIInChI=1S/C14H18N4OS/c1-14(2,3)11-8-20-13(16-11)17-12(19)9-6-4-5-7-10(9)18-15/h4-8,18H,15H2,1-3H3,(H,16,17,19)
InChIKeyLVQIYJKUTBPUBM-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.98
Rot. Bonds3

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

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide (PubChem CID 62237194) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
PubChem CID62237194
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccccc2NN)n1
InChIInChI=1S/C14H18N4OS/c1-14(2,3)11-8-20-13(16-11)17-12(19)9-6-4-5-7-10(9)18-15/h4-8,18H,15H2,1-3H3,(H,16,17,19)
InChIKeyLVQIYJKUTBPUBM-UHFFFAOYSA-N
XLogP2.98
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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)-3-hydrazinylpyridine-4-carboxamide
CID 105071707
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chloro-2-hydrazinylbenzamide
CID 62237022
2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide
CID 16551592
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)-2,4-dimethylbenzamide
CID 3372647
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide
CID 60654609
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide
CID 4216025
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 4619806
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)-6-fluoropyridine-2-carboxamide
CID 113323542
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
CID 78948952

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide (CID 62237194) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide is CC(C)(C)c1csc(NC(=O)c2ccccc2NN)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide?
The InChIKey is LVQIYJKUTBPUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-14(2,3)11-8-20-13(16-11)17-12(19)9-6-4-5-7-10(9)18-15/h4-8,18H,15H2,1-3H3,(H,16,17,19).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide has a molecular weight of 290.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide is sourced from PubChem (CID 62237194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).