(1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide

C19H14F2N2O2S — CID 72950691

IUPAC(1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide
SMILESO=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H14F2N2O2S/c20-13-8-6-12(7-9-13)17-22-10-14(26-17)16-15(11-4-2-1-3-5-11)19(16,21)18(24)23-25/h1-10,15-16,25H,(H,23,24)/t15-,16-,19+/m1/s1
InChIKeyQZEPBMKPUBUIIG-MDZRGWNJSA-N
MW372.40 g/mol
LogP4.04
Rot. Bonds4

About (1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide

(1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide (PubChem CID 72950691) has the molecular formula C19H14F2N2O2S and a molecular weight of 372.40 g/mol. Its IUPAC name is (1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide
PubChem CID72950691
Molecular FormulaC19H14F2N2O2S
Molecular Weight372.40 g/mol
Exact Mass372.07
IUPAC Name(1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide
SMILESO=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H14F2N2O2S/c20-13-8-6-12(7-9-13)17-22-10-14(26-17)16-15(11-4-2-1-3-5-11)19(16,21)18(24)23-25/h1-10,15-16,25H,(H,23,24)/t15-,16-,19+/m1/s1
InChIKeyQZEPBMKPUBUIIG-MDZRGWNJSA-N
XLogP4.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.04
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 (1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of (1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide (CID 72950691) is (1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for (1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide is O=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1cnc(-c2ccc(F)cc2)s1.
What is the InChIKey of (1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The InChIKey is QZEPBMKPUBUIIG-MDZRGWNJSA-N. The full InChI is InChI=1S/C19H14F2N2O2S/c20-13-8-6-12(7-9-13)17-22-10-14(26-17)16-15(11-4-2-1-3-5-11)19(16,21)18(24)23-25/h1-10,15-16,25H,(H,23,24)/t15-,16-,19+/m1/s1.
What are the key properties of (1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
(1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 72950691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).