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

C20H17FN2O2S — CID 118569847

IUPAC(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide
SMILESCc1c(F)cccc1[C@@]1(C(=O)NO)Cc2snc(-c3ccccc3)c2C1
InChIInChI=1S/C20H17FN2O2S/c1-12-15(8-5-9-16(12)21)20(19(24)22-25)10-14-17(11-20)26-23-18(14)13-6-3-2-4-7-13/h2-9,25H,10-11H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyIPSRBEYDLALGLY-FQEVSTJZSA-N
MW368.43 g/mol
LogP3.80
Rot. Bonds3

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

(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide (PubChem CID 118569847) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide
PubChem CID118569847
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC Name(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide
SMILESCc1c(F)cccc1[C@@]1(C(=O)NO)Cc2snc(-c3ccccc3)c2C1
InChIInChI=1S/C20H17FN2O2S/c1-12-15(8-5-9-16(12)21)20(19(24)22-25)10-14-17(11-20)26-23-18(14)13-6-3-2-4-7-13/h2-9,25H,10-11H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyIPSRBEYDLALGLY-FQEVSTJZSA-N
XLogP3.80
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.80
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

(5S)-5-(3-fluoro-2-methylphenyl)-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide
CID 144972830
5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
CID 129012803
(1R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenylcyclopent-2-ene-1-carboxamide
CID 86302815
6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide
CID 118559857
(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559976
1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118560026
1-(2-fluoro-6-methylphenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559865
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide
CID 86272519
5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(3-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559969
5-(3-fluoro-2-methylphenyl)-2-(3-fluoro-2-pyridinyl)-N-hydroxy-4,6-dihydrocyclopenta[c]pyrazole-5-carboxamide
CID 118560052
5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559901
(6S)-6-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide
CID 144972833

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide?
The IUPAC name of (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide (CID 118569847) is (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide.
What is the SMILES notation for (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide?
The canonical SMILES for (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide is Cc1c(F)cccc1[C@@]1(C(=O)NO)Cc2snc(-c3ccccc3)c2C1.
What is the InChIKey of (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide?
The InChIKey is IPSRBEYDLALGLY-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-12-15(8-5-9-16(12)21)20(19(24)22-25)10-14-17(11-20)26-23-18(14)13-6-3-2-4-7-13/h2-9,25H,10-11H2,1H3,(H,22,24)/t20-/m0/s1.
What are the key properties of (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide?
(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide is sourced from PubChem (CID 118569847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).