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

C19H19FN4O2S — CID 118559931

IUPAC2-(2,5-dimethylpyrazol-3-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
SMILESCc1cc(-c2nc3c(s2)CC(C(=O)NO)(c2cccc(F)c2C)C3)n(C)n1
InChIInChI=1S/C19H19FN4O2S/c1-10-7-15(24(3)22-10)17-21-14-8-19(18(25)23-26,9-16(14)27-17)12-5-4-6-13(20)11(12)2/h4-7,26H,8-9H2,1-3H3,(H,23,25)
InChIKeyGABUTZUDMAPMJE-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.84
Rot. Bonds3

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

2-(2,5-dimethylpyrazol-3-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide (PubChem CID 118559931) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
PubChem CID118559931
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
SMILESCc1cc(-c2nc3c(s2)CC(C(=O)NO)(c2cccc(F)c2C)C3)n(C)n1
InChIInChI=1S/C19H19FN4O2S/c1-10-7-15(24(3)22-10)17-21-14-8-19(18(25)23-26,9-16(14)27-17)12-5-4-6-13(20)11(12)2/h4-7,26H,8-9H2,1-3H3,(H,23,25)
InChIKeyGABUTZUDMAPMJE-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide (CID 118559931) is 2-(2,5-dimethylpyrazol-3-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide is Cc1cc(-c2nc3c(s2)CC(C(=O)NO)(c2cccc(F)c2C)C3)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
The InChIKey is GABUTZUDMAPMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c1-10-7-15(24(3)22-10)17-21-14-8-19(18(25)23-26,9-16(14)27-17)12-5-4-6-13(20)11(12)2/h4-7,26H,8-9H2,1-3H3,(H,23,25).
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
2-(2,5-dimethylpyrazol-3-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-(2,5-dimethylpyrazol-3-yl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118559931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).