4-bromo-N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide

C17H11BrN4OS — CID 1037912

IUPAC4-bromo-N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide
SMILESN#Cc1ccc(-c2csc(NNC(=O)c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C17H11BrN4OS/c18-14-7-5-13(6-8-14)16(23)21-22-17-20-15(10-24-17)12-3-1-11(9-19)2-4-12/h1-8,10H,(H,20,22)(H,21,23)
InChIKeyRNCKVWICHWFBNB-UHFFFAOYSA-N
MW399.27 g/mol
LogP4.20
Rot. Bonds4

About 4-bromo-N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide

4-bromo-N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide (PubChem CID 1037912) has the molecular formula C17H11BrN4OS and a molecular weight of 399.27 g/mol. Its IUPAC name is 4-bromo-N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide
PubChem CID1037912
Molecular FormulaC17H11BrN4OS
Molecular Weight399.27 g/mol
Exact Mass397.98
IUPAC Name4-bromo-N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide
SMILESN#Cc1ccc(-c2csc(NNC(=O)c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C17H11BrN4OS/c18-14-7-5-13(6-8-14)16(23)21-22-17-20-15(10-24-17)12-3-1-11(9-19)2-4-12/h1-8,10H,(H,20,22)(H,21,23)
InChIKeyRNCKVWICHWFBNB-UHFFFAOYSA-N
XLogP4.20
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
4-fluoro-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide
CID 1487639
N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide
CID 1482007
N'-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenecarbohydrazide
CID 1482008
4-bromo-N'-(4-tert-butyl-1,3-thiazol-2-yl)benzohydrazide
CID 5191672
2-[[4-(4-Bromophenyl)-2-thiazolyl]amino]-1H-isoindole-1,3(2H)-dione
CID 4105355
N'-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzohydrazide
CID 827781
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 2755231
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 19169584
N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide
CID 827782
4-Bromo-benzoic acid N'-{2-[4-(4-phenyl-thiazol-2-yl)-piperazin-1-yl]-acetyl}-hydrazide
CID 1447465
N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-fluorobenzohydrazide
CID 25097773

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide (CID 1037912) is 4-bromo-N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide is N#Cc1ccc(-c2csc(NNC(=O)c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 4-bromo-N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide?
The InChIKey is RNCKVWICHWFBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4OS/c18-14-7-5-13(6-8-14)16(23)21-22-17-20-15(10-24-17)12-3-1-11(9-19)2-4-12/h1-8,10H,(H,20,22)(H,21,23).
What are the key properties of 4-bromo-N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide?
4-bromo-N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide has a molecular weight of 399.27 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide is sourced from PubChem (CID 1037912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).