2-(2-fluorophenyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,3-thiazole-5-carboxamide

C19H14FN3O3S — CID 122514095

IUPAC2-(2-fluorophenyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(/C=C/c1ccccc1NC(=O)c1cnc(-c2ccccc2F)s1)NO
InChIInChI=1S/C19H14FN3O3S/c20-14-7-3-2-6-13(14)19-21-11-16(27-19)18(25)22-15-8-4-1-5-12(15)9-10-17(24)23-26/h1-11,26H,(H,22,25)(H,23,24)/b10-9+
InChIKeyFXDVEDOCLQWYBN-MDZDMXLPSA-N
MW383.40 g/mol
LogP3.72
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,3-thiazole-5-carboxamide

2-(2-fluorophenyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 122514095) has the molecular formula C19H14FN3O3S and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,3-thiazole-5-carboxamide
PubChem CID122514095
Molecular FormulaC19H14FN3O3S
Molecular Weight383.40 g/mol
Exact Mass383.07
IUPAC Name2-(2-fluorophenyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(/C=C/c1ccccc1NC(=O)c1cnc(-c2ccccc2F)s1)NO
InChIInChI=1S/C19H14FN3O3S/c20-14-7-3-2-6-13(14)19-21-11-16(27-19)18(25)22-15-8-4-1-5-12(15)9-10-17(24)23-26/h1-11,26H,(H,22,25)(H,23,24)/b10-9+
InChIKeyFXDVEDOCLQWYBN-MDZDMXLPSA-N
XLogP3.72
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sodium;2-(2-fluorophenyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,3-thiazole-5-carboxamide;2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid;hydroxylamine;methane;methyl (E)-3-(2-aminophenyl)prop-2-enoate;methyl (E)-3-[2-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]phenyl]prop-2-enoate;propan-2-yl carbonochloridate;hydroxide
CID 159519875
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 122514418
N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 100631360
N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 99625926
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1-[2-(trifluoromethyl)phenyl]imidazole-2-carboxamide
CID 122514217
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 167781477
2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 120998344
2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide
CID 111661369
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide
CID 122514275
2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 95331044
3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 966058
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(1-methylpyrazol-4-yl)oxybenzamide
CID 122514183

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,3-thiazole-5-carboxamide (CID 122514095) is 2-(2-fluorophenyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,3-thiazole-5-carboxamide is O=C(/C=C/c1ccccc1NC(=O)c1cnc(-c2ccccc2F)s1)NO.
What is the InChIKey of 2-(2-fluorophenyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FXDVEDOCLQWYBN-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H14FN3O3S/c20-14-7-3-2-6-13(14)19-21-11-16(27-19)18(25)22-15-8-4-1-5-12(15)9-10-17(24)23-26/h1-11,26H,(H,22,25)(H,23,24)/b10-9+.
What are the key properties of 2-(2-fluorophenyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,3-thiazole-5-carboxamide?
2-(2-fluorophenyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122514095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).