2-fluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-4-methoxybenzohydrazide

C19H15F2N3O3S — CID 9076340

IUPAC2-fluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)c(F)c1
InChIInChI=1S/C19H15F2N3O3S/c1-27-14-6-7-15(16(21)9-14)18(26)24-23-17(25)8-13-10-28-19(22-13)11-2-4-12(20)5-3-11/h2-7,9-10H,8H2,1H3,(H,23,25)(H,24,26)
InChIKeyDQIHYYSWMYVUGM-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.10
Rot. Bonds5

About 2-fluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-4-methoxybenzohydrazide

2-fluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-4-methoxybenzohydrazide (PubChem CID 9076340) has the molecular formula C19H15F2N3O3S and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-fluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-4-methoxybenzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-4-methoxybenzohydrazide
PubChem CID9076340
Molecular FormulaC19H15F2N3O3S
Molecular Weight403.41 g/mol
Exact Mass403.08
IUPAC Name2-fluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)c(F)c1
InChIInChI=1S/C19H15F2N3O3S/c1-27-14-6-7-15(16(21)9-14)18(26)24-23-17(25)8-13-10-28-19(22-13)11-2-4-12(20)5-3-11/h2-7,9-10H,8H2,1H3,(H,23,25)(H,24,26)
InChIKeyDQIHYYSWMYVUGM-UHFFFAOYSA-N
XLogP3.10
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.10
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-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8572766
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-fluoro-4-methoxybenzoate
CID 8509270
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide
CID 7518434
N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9076127
(3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide
CID 9076206
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 17443007
1-(4-fluorophenyl)-3-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]thiourea
CID 8560600
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370392
methyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 24659350
N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 9490539
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-4-methoxybenzohydrazide?
The IUPAC name of 2-fluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-4-methoxybenzohydrazide (CID 9076340) is 2-fluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-4-methoxybenzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-4-methoxybenzohydrazide?
The canonical SMILES for 2-fluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-4-methoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)c(F)c1.
What is the InChIKey of 2-fluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-4-methoxybenzohydrazide?
The InChIKey is DQIHYYSWMYVUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3S/c1-27-14-6-7-15(16(21)9-14)18(26)24-23-17(25)8-13-10-28-19(22-13)11-2-4-12(20)5-3-11/h2-7,9-10H,8H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-fluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-4-methoxybenzohydrazide?
2-fluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-4-methoxybenzohydrazide has a molecular weight of 403.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-4-methoxybenzohydrazide is sourced from PubChem (CID 9076340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).