5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide

C22H18F4N2O2S — CID 118560014

IUPAC5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
SMILESCc1c(F)cccc1C1(C(=O)NO)Cc2nc(Cc3cccc(C(F)(F)F)c3)sc2C1
InChIInChI=1S/C22H18F4N2O2S/c1-12-15(6-3-7-16(12)23)21(20(29)28-30)10-17-18(11-21)31-19(27-17)9-13-4-2-5-14(8-13)22(24,25)26/h2-8,30H,9-11H2,1H3,(H,28,29)
InChIKeyZWEBQSBKGRJFCT-UHFFFAOYSA-N
MW450.46 g/mol
LogP4.74
Rot. Bonds4

About 5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide

5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide (PubChem CID 118560014) has the molecular formula C22H18F4N2O2S and a molecular weight of 450.46 g/mol. Its IUPAC name is 5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
PubChem CID118560014
Molecular FormulaC22H18F4N2O2S
Molecular Weight450.46 g/mol
Exact Mass450.10
IUPAC Name5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
SMILESCc1c(F)cccc1C1(C(=O)NO)Cc2nc(Cc3cccc(C(F)(F)F)c3)sc2C1
InChIInChI=1S/C22H18F4N2O2S/c1-12-15(6-3-7-16(12)23)21(20(29)28-30)10-17-18(11-21)31-19(27-17)9-13-4-2-5-14(8-13)22(24,25)26/h2-8,30H,9-11H2,1H3,(H,28,29)
InChIKeyZWEBQSBKGRJFCT-UHFFFAOYSA-N
XLogP4.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
The IUPAC name of 5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide (CID 118560014) is 5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide is Cc1c(F)cccc1C1(C(=O)NO)Cc2nc(Cc3cccc(C(F)(F)F)c3)sc2C1.
What is the InChIKey of 5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
The InChIKey is ZWEBQSBKGRJFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N2O2S/c1-12-15(6-3-7-16(12)23)21(20(29)28-30)10-17-18(11-21)31-19(27-17)9-13-4-2-5-14(8-13)22(24,25)26/h2-8,30H,9-11H2,1H3,(H,28,29).
What are the key properties of 5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide has a molecular weight of 450.46 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118560014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).