N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide

C18H15N3O2S — CID 4800325

IUPACN'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
SMILESO=C(Cc1csc(-c2ccccc2)n1)NNC(=O)c1ccccc1
InChIInChI=1S/C18H15N3O2S/c22-16(20-21-17(23)13-7-3-1-4-8-13)11-15-12-24-18(19-15)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,20,22)(H,21,23)
InChIKeyQRLXJPUASKONLU-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.81
Rot. Bonds4

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

N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide (PubChem CID 4800325) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
PubChem CID4800325
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
SMILESO=C(Cc1csc(-c2ccccc2)n1)NNC(=O)c1ccccc1
InChIInChI=1S/C18H15N3O2S/c22-16(20-21-17(23)13-7-3-1-4-8-13)11-15-12-24-18(19-15)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,20,22)(H,21,23)
InChIKeyQRLXJPUASKONLU-UHFFFAOYSA-N
XLogP2.81
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 9164577
2-(2-phenyl-1,3-thiazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 23610169
N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide
CID 27662809
4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
CID 27620637
N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-4-propan-2-yloxybenzohydrazide
CID 24514393
N'-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide
CID 17495634
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
dimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium
CID 2425714
[4-(2-phenylethenyl)phenyl]methyl N-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]carbamate
CID 6734491
sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 4671727
N-(2-chlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8745943

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide?
The IUPAC name of N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide (CID 4800325) is N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide is O=C(Cc1csc(-c2ccccc2)n1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide?
The InChIKey is QRLXJPUASKONLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-16(20-21-17(23)13-7-3-1-4-8-13)11-15-12-24-18(19-15)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide?
N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide has a molecular weight of 337.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide is sourced from PubChem (CID 4800325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).