N'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide

C19H16ClN3O2S2 — CID 55555197

IUPACN'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccccc1SCc1cscn1
InChIInChI=1S/C19H16ClN3O2S2/c20-14-7-5-13(6-8-14)9-18(24)22-23-19(25)16-3-1-2-4-17(16)27-11-15-10-26-12-21-15/h1-8,10,12H,9,11H2,(H,22,24)(H,23,25)
InChIKeyWPAHKMHYSNKLFL-UHFFFAOYSA-N
MW417.94 g/mol
LogP4.09
Rot. Bonds6

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

N'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide (PubChem CID 55555197) has the molecular formula C19H16ClN3O2S2 and a molecular weight of 417.94 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
PubChem CID55555197
Molecular FormulaC19H16ClN3O2S2
Molecular Weight417.94 g/mol
Exact Mass417.04
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccccc1SCc1cscn1
InChIInChI=1S/C19H16ClN3O2S2/c20-14-7-5-13(6-8-14)9-18(24)22-23-19(25)16-3-1-2-4-17(16)27-11-15-10-26-12-21-15/h1-8,10,12H,9,11H2,(H,22,24)(H,23,25)
InChIKeyWPAHKMHYSNKLFL-UHFFFAOYSA-N
XLogP4.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 54.09
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

N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
CID 55536973
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 55523255
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 55522233
5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide
CID 43048855
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46456480
N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 30887149
N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 33283315
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 18155250
N-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 134046822
N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 47021185
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 30686042
N-[2-(2-methoxyphenyl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 36653546

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide (CID 55555197) is N'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide is O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccccc1SCc1cscn1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide?
The InChIKey is WPAHKMHYSNKLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S2/c20-14-7-5-13(6-8-14)9-18(24)22-23-19(25)16-3-1-2-4-17(16)27-11-15-10-26-12-21-15/h1-8,10,12H,9,11H2,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide has a molecular weight of 417.94 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide is sourced from PubChem (CID 55555197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).