5-nitro-2-phenylmethoxy-N'-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzohydrazide

C25H22N4O4S — CID 175027927

IUPAC5-nitro-2-phenylmethoxy-N'-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzohydrazide
SMILESCC(NNC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1)c1cccc(-c2nccs2)c1
InChIInChI=1S/C25H22N4O4S/c1-17(19-8-5-9-20(14-19)25-26-12-13-34-25)27-28-24(30)22-15-21(29(31)32)10-11-23(22)33-16-18-6-3-2-4-7-18/h2-15,17,27H,16H2,1H3,(H,28,30)
InChIKeyGLFWDMDUUQXWSS-UHFFFAOYSA-N
MW474.54 g/mol
LogP5.29
Rot. Bonds9

About 5-nitro-2-phenylmethoxy-N'-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzohydrazide

5-nitro-2-phenylmethoxy-N'-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzohydrazide (PubChem CID 175027927) has the molecular formula C25H22N4O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is 5-nitro-2-phenylmethoxy-N'-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzohydrazide.

Molecular Properties

Compound Name5-nitro-2-phenylmethoxy-N'-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzohydrazide
PubChem CID175027927
Molecular FormulaC25H22N4O4S
Molecular Weight474.54 g/mol
Exact Mass474.14
IUPAC Name5-nitro-2-phenylmethoxy-N'-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzohydrazide
SMILESCC(NNC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1)c1cccc(-c2nccs2)c1
InChIInChI=1S/C25H22N4O4S/c1-17(19-8-5-9-20(14-19)25-26-12-13-34-25)27-28-24(30)22-15-21(29(31)32)10-11-23(22)33-16-18-6-3-2-4-7-18/h2-15,17,27H,16H2,1H3,(H,28,30)
InChIKeyGLFWDMDUUQXWSS-UHFFFAOYSA-N
XLogP5.29
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.54
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[3,4-bis(phenylmethoxy)phenyl]-1,3-thiazole
CID 25131159
N-(2-hydroxyethyl)-3-[1-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide
CID 67659630
3-(dimethylamino)-2-methoxy-1-(5-nitro-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 68850468
2,2-diphenyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 54774183
3-nitro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774047
(Z)-2-cyano-3-[2-[(3-nitrophenyl)methoxy]naphthalen-1-yl]-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 126243061
4-nitro-2-[(5-nitro-2-phenylmethoxyphenyl)disulfanyl]-1-phenylmethoxybenzene
CID 4985783
2-chloro-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]-4-nitrobenzamide
CID 112764361
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-nitro-2-phenylmethoxyphenyl)sulfanylpropanoic acid
CID 167996371
2-methoxy-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-5-nitrobenzamide
CID 126264618
2-methyl-N'-(1-naphthalen-1-ylethyl)-5-nitrobenzohydrazide
CID 163236401
2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795566

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-phenylmethoxy-N'-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzohydrazide?
The IUPAC name of 5-nitro-2-phenylmethoxy-N'-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzohydrazide (CID 175027927) is 5-nitro-2-phenylmethoxy-N'-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzohydrazide.
What is the SMILES notation for 5-nitro-2-phenylmethoxy-N'-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzohydrazide?
The canonical SMILES for 5-nitro-2-phenylmethoxy-N'-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzohydrazide is CC(NNC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1)c1cccc(-c2nccs2)c1.
What is the InChIKey of 5-nitro-2-phenylmethoxy-N'-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzohydrazide?
The InChIKey is GLFWDMDUUQXWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S/c1-17(19-8-5-9-20(14-19)25-26-12-13-34-25)27-28-24(30)22-15-21(29(31)32)10-11-23(22)33-16-18-6-3-2-4-7-18/h2-15,17,27H,16H2,1H3,(H,28,30).
What are the key properties of 5-nitro-2-phenylmethoxy-N'-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzohydrazide?
5-nitro-2-phenylmethoxy-N'-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzohydrazide has a molecular weight of 474.54 g/mol, XLogP of 5.29, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-phenylmethoxy-N'-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzohydrazide is sourced from PubChem (CID 175027927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).