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

C17H17FN2O2S — CID 118559825

IUPAC(6S)-2-cyclopropyl-6-(3-fluoro-2-methylphenyl)-N-hydroxy-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)CCc2nc(C3CC3)sc21
InChIInChI=1S/C17H17FN2O2S/c1-9-11(3-2-4-12(9)18)17(16(21)20-22)8-7-13-14(17)23-15(19-13)10-5-6-10/h2-4,10,22H,5-8H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyWNOUOJXJZAVXOA-QGZVFWFLSA-N
MW332.40 g/mol
LogP3.21
Rot. Bonds3

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

(6S)-2-cyclopropyl-6-(3-fluoro-2-methylphenyl)-N-hydroxy-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide (PubChem CID 118559825) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is (6S)-2-cyclopropyl-6-(3-fluoro-2-methylphenyl)-N-hydroxy-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name(6S)-2-cyclopropyl-6-(3-fluoro-2-methylphenyl)-N-hydroxy-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide
PubChem CID118559825
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name(6S)-2-cyclopropyl-6-(3-fluoro-2-methylphenyl)-N-hydroxy-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)CCc2nc(C3CC3)sc21
InChIInChI=1S/C17H17FN2O2S/c1-9-11(3-2-4-12(9)18)17(16(21)20-22)8-7-13-14(17)23-15(19-13)10-5-6-10/h2-4,10,22H,5-8H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyWNOUOJXJZAVXOA-QGZVFWFLSA-N
XLogP3.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.21
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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Frequently Asked Questions

What is the IUPAC name of (6S)-2-cyclopropyl-6-(3-fluoro-2-methylphenyl)-N-hydroxy-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide?
The IUPAC name of (6S)-2-cyclopropyl-6-(3-fluoro-2-methylphenyl)-N-hydroxy-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide (CID 118559825) is (6S)-2-cyclopropyl-6-(3-fluoro-2-methylphenyl)-N-hydroxy-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide.
What is the SMILES notation for (6S)-2-cyclopropyl-6-(3-fluoro-2-methylphenyl)-N-hydroxy-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide?
The canonical SMILES for (6S)-2-cyclopropyl-6-(3-fluoro-2-methylphenyl)-N-hydroxy-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide is Cc1c(F)cccc1[C@]1(C(=O)NO)CCc2nc(C3CC3)sc21.
What is the InChIKey of (6S)-2-cyclopropyl-6-(3-fluoro-2-methylphenyl)-N-hydroxy-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide?
The InChIKey is WNOUOJXJZAVXOA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-9-11(3-2-4-12(9)18)17(16(21)20-22)8-7-13-14(17)23-15(19-13)10-5-6-10/h2-4,10,22H,5-8H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (6S)-2-cyclopropyl-6-(3-fluoro-2-methylphenyl)-N-hydroxy-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide?
(6S)-2-cyclopropyl-6-(3-fluoro-2-methylphenyl)-N-hydroxy-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-cyclopropyl-6-(3-fluoro-2-methylphenyl)-N-hydroxy-4,5-dihydrocyclopenta[d][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 118559825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).