N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-hydroxybenzamide

C19H15FN4O3S — CID 9077876

IUPACN-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-hydroxybenzamide
SMILESCC(=O)N(c1nc(/C=N\NC(=O)c2ccccc2O)cs1)c1ccccc1F
InChIInChI=1S/C19H15FN4O3S/c1-12(25)24(16-8-4-3-7-15(16)20)19-22-13(11-28-19)10-21-23-18(27)14-6-2-5-9-17(14)26/h2-11,26H,1H3,(H,23,27)/b21-10-
InChIKeyPQZHDLPRLDVDCS-FBHDLOMBSA-N
MW398.42 g/mol
LogP3.44
Rot. Bonds5

About N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-hydroxybenzamide

N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-hydroxybenzamide (PubChem CID 9077876) has the molecular formula C19H15FN4O3S and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-hydroxybenzamide
PubChem CID9077876
Molecular FormulaC19H15FN4O3S
Molecular Weight398.42 g/mol
Exact Mass398.08
IUPAC NameN-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-hydroxybenzamide
SMILESCC(=O)N(c1nc(/C=N\NC(=O)c2ccccc2O)cs1)c1ccccc1F
InChIInChI=1S/C19H15FN4O3S/c1-12(25)24(16-8-4-3-7-15(16)20)19-22-13(11-28-19)10-21-23-18(27)14-6-2-5-9-17(14)26/h2-11,26H,1H3,(H,23,27)/b21-10-
InChIKeyPQZHDLPRLDVDCS-FBHDLOMBSA-N
XLogP3.44
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 9057964
N-(2-fluorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide
CID 2090927
N-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide
CID 9058831
3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]prop-2-enoic acid
CID 3852304
N-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-chlorobenzamide
CID 9060219
N-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 9072974
N-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 8833043
N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-fluorobenzamide
CID 9016676
N-(2,4-difluorophenyl)-N-[4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide
CID 9059425
3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]-N-prop-2-ynylprop-2-enamide
CID 78792207
3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]-N-(3-bromo-4-methylphenyl)prop-2-enamide
CID 76859193
4-[[(E)-3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]prop-2-enoyl]amino]-N-tert-butylbenzamide
CID 38255152

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-hydroxybenzamide (CID 9077876) is N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-hydroxybenzamide is CC(=O)N(c1nc(/C=N\NC(=O)c2ccccc2O)cs1)c1ccccc1F.
What is the InChIKey of N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is PQZHDLPRLDVDCS-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H15FN4O3S/c1-12(25)24(16-8-4-3-7-15(16)20)19-22-13(11-28-19)10-21-23-18(27)14-6-2-5-9-17(14)26/h2-11,26H,1H3,(H,23,27)/b21-10-.
What are the key properties of N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-hydroxybenzamide?
N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 398.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 9077876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).