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

C18H17FN4O2S — CID 118559829

IUPAC(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)Cc2nc(-c3ccnn3C)sc2C1
InChIInChI=1S/C18H17FN4O2S/c1-10-11(4-3-5-12(10)19)18(17(24)22-25)8-13-15(9-18)26-16(21-13)14-6-7-20-23(14)2/h3-7,25H,8-9H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyNRSVTTYMWNRDOQ-SFHVURJKSA-N
MW372.43 g/mol
LogP2.53
Rot. Bonds3

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

(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide (PubChem CID 118559829) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
PubChem CID118559829
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)Cc2nc(-c3ccnn3C)sc2C1
InChIInChI=1S/C18H17FN4O2S/c1-10-11(4-3-5-12(10)19)18(17(24)22-25)8-13-15(9-18)26-16(21-13)14-6-7-20-23(14)2/h3-7,25H,8-9H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyNRSVTTYMWNRDOQ-SFHVURJKSA-N
XLogP2.53
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(R)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-2-(1-methyl-1H-pyrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]thiazole-5-carboxamide
CID 118559854
(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
(R)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-2-(5-fluoropyridin-2-yl)-5,6-dihydroxy-4H-cyclopenta[d]thiazole-5-carboxamide
CID 118559955
E1-(abs)-2-(1,5-Dimethyl-1H-pyrazol-4-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-5,6-dihydro-4H-cyclopenta[d]thiazole-5-carboxamide
CID 129012804
5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
CID 118559830
(5S)-5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylic acid
CID 118559902
5-(3-Fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylic acid
CID 118559903
2-(2,5-dimethylpyrazol-3-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
CID 118559931
5-(3-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
CID 118559941
Methyl 5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate
CID 118560004
methyl (5S)-5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate
CID 118560006
3-[5-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]-N-hydroxypropanamide
CID 129027656

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
The IUPAC name of (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide (CID 118559829) is (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
The canonical SMILES for (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide is Cc1c(F)cccc1[C@]1(C(=O)NO)Cc2nc(-c3ccnn3C)sc2C1.
What is the InChIKey of (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
The InChIKey is NRSVTTYMWNRDOQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-10-11(4-3-5-12(10)19)18(17(24)22-25)8-13-15(9-18)26-16(21-13)14-6-7-20-23(14)2/h3-7,25H,8-9H2,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118559829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).