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

C18H17FN4O2S — CID 118559830

IUPAC5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
SMILESCc1c(F)cccc1C1(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)
InChIKeyNRSVTTYMWNRDOQ-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.53
Rot. Bonds3

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

5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide (PubChem CID 118559830) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
PubChem CID118559830
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
SMILESCc1c(F)cccc1C1(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)
InChIKeyNRSVTTYMWNRDOQ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 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 5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide (CID 118559830) is 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 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 5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide is Cc1c(F)cccc1C1(C(=O)NO)Cc2nc(-c3ccnn3C)sc2C1.
What is the InChIKey of 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-UHFFFAOYSA-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).
What are the key properties of 5-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide?
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 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 118559830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).