N'-[(5R)-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]benzohydrazide

C11H12BrN3OS — CID 7385665

IUPACN'-[(5R)-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]benzohydrazide
SMILESO=C(NNC1=NC[C@H](CBr)S1)c1ccccc1
InChIInChI=1S/C11H12BrN3OS/c12-6-9-7-13-11(17-9)15-14-10(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15)(H,14,16)/t9-/m0/s1
InChIKeySGJLWGOLCZQSFZ-VIFPVBQESA-N
MW314.21 g/mol
LogP1.79
Rot. Bonds2

About N'-[(5R)-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]benzohydrazide

N'-[(5R)-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]benzohydrazide (PubChem CID 7385665) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is N'-[(5R)-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[(5R)-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]benzohydrazide
PubChem CID7385665
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC NameN'-[(5R)-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]benzohydrazide
SMILESO=C(NNC1=NC[C@H](CBr)S1)c1ccccc1
InChIInChI=1S/C11H12BrN3OS/c12-6-9-7-13-11(17-9)15-14-10(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15)(H,14,16)/t9-/m0/s1
InChIKeySGJLWGOLCZQSFZ-VIFPVBQESA-N
XLogP1.79
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(5R)-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]benzohydrazide?
The IUPAC name of N'-[(5R)-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]benzohydrazide (CID 7385665) is N'-[(5R)-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]benzohydrazide.
What is the SMILES notation for N'-[(5R)-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]benzohydrazide?
The canonical SMILES for N'-[(5R)-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]benzohydrazide is O=C(NNC1=NC[C@H](CBr)S1)c1ccccc1.
What is the InChIKey of N'-[(5R)-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]benzohydrazide?
The InChIKey is SGJLWGOLCZQSFZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12BrN3OS/c12-6-9-7-13-11(17-9)15-14-10(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15)(H,14,16)/t9-/m0/s1.
What are the key properties of N'-[(5R)-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]benzohydrazide?
N'-[(5R)-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]benzohydrazide has a molecular weight of 314.21 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5R)-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]benzohydrazide is sourced from PubChem (CID 7385665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).