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

C12H14BrN3OS — CID 21205686

IUPACN'-[5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2-phenylacetohydrazide
SMILESO=C(Cc1ccccc1)NNC1=NCC(CBr)S1
InChIInChI=1S/C12H14BrN3OS/c13-7-10-8-14-12(18-10)16-15-11(17)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,16)(H,15,17)
InChIKeyZNOWCASEVSZICP-UHFFFAOYSA-N
MW328.24 g/mol
LogP1.72
Rot. Bonds3

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

N'-[5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2-phenylacetohydrazide (PubChem CID 21205686) has the molecular formula C12H14BrN3OS and a molecular weight of 328.24 g/mol. Its IUPAC name is N'-[5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2-phenylacetohydrazide
PubChem CID21205686
Molecular FormulaC12H14BrN3OS
Molecular Weight328.24 g/mol
Exact Mass327.00
IUPAC NameN'-[5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2-phenylacetohydrazide
SMILESO=C(Cc1ccccc1)NNC1=NCC(CBr)S1
InChIInChI=1S/C12H14BrN3OS/c13-7-10-8-14-12(18-10)16-15-11(17)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,16)(H,15,17)
InChIKeyZNOWCASEVSZICP-UHFFFAOYSA-N
XLogP1.72
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 51.72
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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Related Compounds

N'-[(5R)-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]benzohydrazide
CID 7385665
N'-(2,4-dibromophenyl)-2-phenylacetohydrazide
CID 5001821
N'-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonohydrazide
CID 3354995
N'-(2-chloroacetyl)-2-phenylacetohydrazide
CID 1133001
N-cyclopropyl-2-phenylacetamide
CID 5175687
N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19137179
N'-(2-phenylacetyl)piperidine-4-carbohydrazide
CID 82121690
N'-naphthalen-2-yl-2-phenylacetohydrazide
CID 2172648
N'-[1-(5-bromothiophen-2-yl)ethenyl]-2-phenylacetohydrazide
CID 2207905
N-[3-(bromomethyl)oxetan-3-yl]-2-phenylacetamide
CID 146427768
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
trans-(1R,2R)-2-[[(2-phenylacetyl)amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 6545228

Frequently Asked Questions

What is the IUPAC name of N'-[5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2-phenylacetohydrazide?
The IUPAC name of N'-[5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2-phenylacetohydrazide (CID 21205686) is N'-[5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2-phenylacetohydrazide.
What is the SMILES notation for N'-[5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2-phenylacetohydrazide?
The canonical SMILES for N'-[5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2-phenylacetohydrazide is O=C(Cc1ccccc1)NNC1=NCC(CBr)S1.
What is the InChIKey of N'-[5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2-phenylacetohydrazide?
The InChIKey is ZNOWCASEVSZICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3OS/c13-7-10-8-14-12(18-10)16-15-11(17)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,16)(H,15,17).
What are the key properties of N'-[5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2-phenylacetohydrazide?
N'-[5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2-phenylacetohydrazide has a molecular weight of 328.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2-phenylacetohydrazide is sourced from PubChem (CID 21205686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).