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

C20H16F2N2O2S — CID 118559832

IUPAC5-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
SMILESCc1c(F)cccc1C1(C(=O)NO)Cc2nc(-c3ccc(F)cc3)sc2C1
InChIInChI=1S/C20H16F2N2O2S/c1-11-14(3-2-4-15(11)22)20(19(25)24-26)9-16-17(10-20)27-18(23-16)12-5-7-13(21)8-6-12/h2-8,26H,9-10H2,1H3,(H,24,25)
InChIKeyXESWLHUWEZFSSE-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.94
Rot. Bonds3

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

5-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide (PubChem CID 118559832) has the molecular formula C20H16F2N2O2S and a molecular weight of 386.42 g/mol. Its IUPAC name is 5-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name5-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
PubChem CID118559832
Molecular FormulaC20H16F2N2O2S
Molecular Weight386.42 g/mol
Exact Mass386.09
IUPAC Name5-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
SMILESCc1c(F)cccc1C1(C(=O)NO)Cc2nc(-c3ccc(F)cc3)sc2C1
InChIInChI=1S/C20H16F2N2O2S/c1-11-14(3-2-4-15(11)22)20(19(25)24-26)9-16-17(10-20)27-18(23-16)12-5-7-13(21)8-6-12/h2-8,26H,9-10H2,1H3,(H,24,25)
InChIKeyXESWLHUWEZFSSE-UHFFFAOYSA-N
XLogP3.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.94
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)-2-(4-fluorophenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
The IUPAC name of 5-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide (CID 118559832) is 5-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 5-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 5-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide is Cc1c(F)cccc1C1(C(=O)NO)Cc2nc(-c3ccc(F)cc3)sc2C1.
What is the InChIKey of 5-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
The InChIKey is XESWLHUWEZFSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2S/c1-11-14(3-2-4-15(11)22)20(19(25)24-26)9-16-17(10-20)27-18(23-16)12-5-7-13(21)8-6-12/h2-8,26H,9-10H2,1H3,(H,24,25).
What are the key properties of 5-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
5-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 3.94, 3 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)-2-(4-fluorophenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118559832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).