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

C19H19FN4O2S — CID 129012804

IUPAC2-(1,5-dimethylpyrazol-4-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
SMILESCc1c(F)cccc1C1(C(=O)NO)Cc2nc(-c3cnn(C)c3C)sc2C1
InChIInChI=1S/C19H19FN4O2S/c1-10-13(5-4-6-14(10)20)19(18(25)23-26)7-15-16(8-19)27-17(22-15)12-9-21-24(3)11(12)2/h4-6,9,26H,7-8H2,1-3H3,(H,23,25)
InChIKeyUOWMFUOXSDIDNI-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.84
Rot. Bonds3

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

2-(1,5-dimethylpyrazol-4-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide (PubChem CID 129012804) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
PubChem CID129012804
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
SMILESCc1c(F)cccc1C1(C(=O)NO)Cc2nc(-c3cnn(C)c3C)sc2C1
InChIInChI=1S/C19H19FN4O2S/c1-10-13(5-4-6-14(10)20)19(18(25)23-26)7-15-16(8-19)27-17(22-15)12-9-21-24(3)11(12)2/h4-6,9,26H,7-8H2,1-3H3,(H,23,25)
InChIKeyUOWMFUOXSDIDNI-UHFFFAOYSA-N
XLogP2.84
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.84
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

(S)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-2-(1-methyl-1H-pyrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]thiazole-5-carboxamide
CID 118559829
(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
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 2-(1,5-dimethylpyrazol-4-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide (CID 129012804) is 2-(1,5-dimethylpyrazol-4-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide is Cc1c(F)cccc1C1(C(=O)NO)Cc2nc(-c3cnn(C)c3C)sc2C1.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
The InChIKey is UOWMFUOXSDIDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c1-10-13(5-4-6-14(10)20)19(18(25)23-26)7-15-16(8-19)27-17(22-15)12-9-21-24(3)11(12)2/h4-6,9,26H,7-8H2,1-3H3,(H,23,25).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
2-(1,5-dimethylpyrazol-4-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 129012804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).