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

C21H18F2N2O2S — CID 129012803

IUPAC5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
SMILESCc1cc(F)ccc1-c1nc2c(s1)CC(C(=O)NO)(c1cccc(F)c1C)C2
InChIInChI=1S/C21H18F2N2O2S/c1-11-8-13(22)6-7-14(11)19-24-17-9-21(20(26)25-27,10-18(17)28-19)15-4-3-5-16(23)12(15)2/h3-8,27H,9-10H2,1-2H3,(H,25,26)
InChIKeyALQTZIMWKAXBSN-UHFFFAOYSA-N
MW400.45 g/mol
LogP4.25
Rot. Bonds3

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

5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide (PubChem CID 129012803) has the molecular formula C21H18F2N2O2S and a molecular weight of 400.45 g/mol. Its IUPAC name is 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
PubChem CID129012803
Molecular FormulaC21H18F2N2O2S
Molecular Weight400.45 g/mol
Exact Mass400.11
IUPAC Name5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
SMILESCc1cc(F)ccc1-c1nc2c(s1)CC(C(=O)NO)(c1cccc(F)c1C)C2
InChIInChI=1S/C21H18F2N2O2S/c1-11-8-13(22)6-7-14(11)19-24-17-9-21(20(26)25-27,10-18(17)28-19)15-4-3-5-16(23)12(15)2/h3-8,27H,9-10H2,1-2H3,(H,25,26)
InChIKeyALQTZIMWKAXBSN-UHFFFAOYSA-N
XLogP4.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 54.25
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-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
The IUPAC name of 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide (CID 129012803) is 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide is Cc1cc(F)ccc1-c1nc2c(s1)CC(C(=O)NO)(c1cccc(F)c1C)C2.
What is the InChIKey of 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
The InChIKey is ALQTZIMWKAXBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2S/c1-11-8-13(22)6-7-14(11)19-24-17-9-21(20(26)25-27,10-18(17)28-19)15-4-3-5-16(23)12(15)2/h3-8,27H,9-10H2,1-2H3,(H,25,26).
What are the key properties of 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 4.25, 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-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 129012803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).