4-bromo-N'-(4-tert-butyl-1,3-thiazol-2-yl)benzohydrazide

C14H16BrN3OS — CID 5191672

IUPAC4-bromo-N'-(4-tert-butyl-1,3-thiazol-2-yl)benzohydrazide
SMILESCC(C)(C)c1csc(NNC(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C14H16BrN3OS/c1-14(2,3)11-8-20-13(16-11)18-17-12(19)9-4-6-10(15)7-5-9/h4-8H,1-3H3,(H,16,18)(H,17,19)
InChIKeyGMTQJWXXCAZJCS-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.96
Rot. Bonds3

About 4-bromo-N'-(4-tert-butyl-1,3-thiazol-2-yl)benzohydrazide

4-bromo-N'-(4-tert-butyl-1,3-thiazol-2-yl)benzohydrazide (PubChem CID 5191672) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is 4-bromo-N'-(4-tert-butyl-1,3-thiazol-2-yl)benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(4-tert-butyl-1,3-thiazol-2-yl)benzohydrazide
PubChem CID5191672
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC Name4-bromo-N'-(4-tert-butyl-1,3-thiazol-2-yl)benzohydrazide
SMILESCC(C)(C)c1csc(NNC(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C14H16BrN3OS/c1-14(2,3)11-8-20-13(16-11)18-17-12(19)9-4-6-10(15)7-5-9/h4-8H,1-3H3,(H,16,18)(H,17,19)
InChIKeyGMTQJWXXCAZJCS-UHFFFAOYSA-N
XLogP3.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-bromo-N'-(4-tert-butyl-1,3-thiazol-2-yl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(4-tert-butyl-1,3-thiazol-2-yl)benzohydrazide?
The IUPAC name of 4-bromo-N'-(4-tert-butyl-1,3-thiazol-2-yl)benzohydrazide (CID 5191672) is 4-bromo-N'-(4-tert-butyl-1,3-thiazol-2-yl)benzohydrazide.
What is the SMILES notation for 4-bromo-N'-(4-tert-butyl-1,3-thiazol-2-yl)benzohydrazide?
The canonical SMILES for 4-bromo-N'-(4-tert-butyl-1,3-thiazol-2-yl)benzohydrazide is CC(C)(C)c1csc(NNC(=O)c2ccc(Br)cc2)n1.
What is the InChIKey of 4-bromo-N'-(4-tert-butyl-1,3-thiazol-2-yl)benzohydrazide?
The InChIKey is GMTQJWXXCAZJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c1-14(2,3)11-8-20-13(16-11)18-17-12(19)9-4-6-10(15)7-5-9/h4-8H,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 4-bromo-N'-(4-tert-butyl-1,3-thiazol-2-yl)benzohydrazide?
4-bromo-N'-(4-tert-butyl-1,3-thiazol-2-yl)benzohydrazide has a molecular weight of 354.27 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(4-tert-butyl-1,3-thiazol-2-yl)benzohydrazide is sourced from PubChem (CID 5191672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).