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

C21H19FN2O2S — CID 118559922

IUPAC(6S)-6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylphenyl)-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide
SMILESCc1ccccc1-c1nc2c(s1)[C@](C(=O)NO)(c1cccc(F)c1C)CC2
InChIInChI=1S/C21H19FN2O2S/c1-12-6-3-4-7-14(12)19-23-17-10-11-21(18(17)27-19,20(25)24-26)15-8-5-9-16(22)13(15)2/h3-9,26H,10-11H2,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyBCXSCVXYWCEYON-OAQYLSRUSA-N
MW382.46 g/mol
LogP4.30
Rot. Bonds3

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

(6S)-6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylphenyl)-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide (PubChem CID 118559922) has the molecular formula C21H19FN2O2S and a molecular weight of 382.46 g/mol. Its IUPAC name is (6S)-6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylphenyl)-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name(6S)-6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylphenyl)-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide
PubChem CID118559922
Molecular FormulaC21H19FN2O2S
Molecular Weight382.46 g/mol
Exact Mass382.12
IUPAC Name(6S)-6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylphenyl)-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide
SMILESCc1ccccc1-c1nc2c(s1)[C@](C(=O)NO)(c1cccc(F)c1C)CC2
InChIInChI=1S/C21H19FN2O2S/c1-12-6-3-4-7-14(12)19-23-17-10-11-21(18(17)27-19,20(25)24-26)15-8-5-9-16(22)13(15)2/h3-9,26H,10-11H2,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyBCXSCVXYWCEYON-OAQYLSRUSA-N
XLogP4.30
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.30
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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Related Compounds

US9783488, Example 76
CID 86275609
US9783488, Example 75
CID 86275610
(S)-2-Cyclopropyl-6-(3-fluoro-2-methylphenyl)-N-hydroxy-5,6-dihydro-4H-cyclopenta[d]thiazole-6-carboxamide
CID 118559825
(R)-5-(3-Fluoro-2-methylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,6-dihydro-4H-cyclopenta[d]thiazole-5-carboxamide
CID 118559831
(S)-5-(3-Fluoro-2-methylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,6-dihydro-4H-cyclopenta[d]thiazole-5-carboxamide
CID 118559873
(R)-2-(1,3-Dimethyl-1H-pyrazol-5-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-5,6-dihydro-4H-cyclopenta[d]thiazole-5-carboxamide
CID 118559929
(S)-6-(3-Fluoro-2-methylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,6-dihydro-4H-cyclopenta[d]thiazole-6-carboxamide
CID 118559948
(R)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-2-(5-fluoropyridin-2-yl)-5,6-dihydroxy-4H-cyclopenta[d]thiazole-5-carboxamide
CID 118559955
5-(3-Fluoro-2-methylphenyl)-N-hydroxy-2-(3-(trifluoromethyl)benzyl)-5,6-dihydro-4H-cyclopenta[d]thiazole-5-carboxamide
CID 118560014
E1-(abs)-5-(3-Fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-hydroxy-5,6-dihydro-4H-cyclopenta[d]thiazole-5-carboxamide
CID 118569928
E1-(abs)-5-(3-Fluoro-2-methylphenyl)-2-(3-fluorophenyl)-N-hydroxy-5,6-dihydro-4H-cyclopenta[d]thiazole-5-carboxamide
CID 129012802
E1-(abs)-5-(3-Fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-hydroxy-5,6-dihydro-4H-cyclopenta[d]thiazole-5-carboxamide
CID 129012803

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylphenyl)-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide?
The IUPAC name of (6S)-6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylphenyl)-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide (CID 118559922) is (6S)-6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylphenyl)-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide.
What is the SMILES notation for (6S)-6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylphenyl)-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide?
The canonical SMILES for (6S)-6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylphenyl)-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide is Cc1ccccc1-c1nc2c(s1)[C@](C(=O)NO)(c1cccc(F)c1C)CC2.
What is the InChIKey of (6S)-6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylphenyl)-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide?
The InChIKey is BCXSCVXYWCEYON-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19FN2O2S/c1-12-6-3-4-7-14(12)19-23-17-10-11-21(18(17)27-19,20(25)24-26)15-8-5-9-16(22)13(15)2/h3-9,26H,10-11H2,1-2H3,(H,24,25)/t21-/m1/s1.
What are the key properties of (6S)-6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylphenyl)-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide?
(6S)-6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylphenyl)-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylphenyl)-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 118559922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).