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

C19H15F2N3O2S — CID 72950689

IUPAC(1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methyl-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ncccc1[C@@H]1[C@@H](c2cnc(-c3ccc(F)cc3)s2)[C@]1(F)C(=O)NO
InChIInChI=1S/C19H15F2N3O2S/c1-10-13(3-2-8-22-10)15-16(19(15,21)18(25)24-26)14-9-23-17(27-14)11-4-6-12(20)7-5-11/h2-9,15-16,26H,1H3,(H,24,25)/t15-,16-,19+/m1/s1
InChIKeyRGYQNYRYUROMBD-MDZRGWNJSA-N
MW387.41 g/mol
LogP3.75
Rot. Bonds4

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

(1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methyl-3-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 72950689) has the molecular formula C19H15F2N3O2S and a molecular weight of 387.41 g/mol. Its IUPAC name is (1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methyl-3-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methyl-3-pyridinyl)cyclopropane-1-carboxamide
PubChem CID72950689
Molecular FormulaC19H15F2N3O2S
Molecular Weight387.41 g/mol
Exact Mass387.09
IUPAC Name(1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methyl-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ncccc1[C@@H]1[C@@H](c2cnc(-c3ccc(F)cc3)s2)[C@]1(F)C(=O)NO
InChIInChI=1S/C19H15F2N3O2S/c1-10-13(3-2-8-22-10)15-16(19(15,21)18(25)24-26)14-9-23-17(27-14)11-4-6-12(20)7-5-11/h2-9,15-16,26H,1H3,(H,24,25)/t15-,16-,19+/m1/s1
InChIKeyRGYQNYRYUROMBD-MDZRGWNJSA-N
XLogP3.75
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-(5-(2-(4-fluorobenzylamino)ethyl)pyridin-2-yl)-N-hydroxythiophene-2-carboxamide
CID 44418220
6-[4-Methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 137659770
N-hydroxy-4-phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 135979518
US9505736, (1S,2R,3S)-1-Fluoro-2-(2-(4-fluorophenyl)thiazol-5-yl)-N-hydroxy-3-phenylcyclopropanecarboxamide
CID 72950691
(R)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-2-(5-fluoropyridin-2-yl)-5,6-dihydroxy-4H-cyclopenta[d]thiazole-5-carboxamide
CID 118559955
(1R,2R,3R)-N-hydroxy-2-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
CID 88925042
N-(3-fluorophenyl)-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45928820
Racemic-(trans)-2-{4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)amino]phenyl}-n-(4-pyridinylmethyl)cyclopropanecarboxamide
CID 11352951
4-{2-[4-(Trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl}benzamide
CID 22049682
2-Fluoro-5-{2-[4-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl}benzamide
CID 22049686
2-fluoro-N-methyl-5-[2-[4-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]benzamide
CID 22049702
3-[2-[4-(Trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]benzamide
CID 22049704

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-(2-methyl-3-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of (1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methyl-3-pyridinyl)cyclopropane-1-carboxamide (CID 72950689) is (1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methyl-3-pyridinyl)cyclopropane-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-(2-methyl-3-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methyl-3-pyridinyl)cyclopropane-1-carboxamide is Cc1ncccc1[C@@H]1[C@@H](c2cnc(-c3ccc(F)cc3)s2)[C@]1(F)C(=O)NO.
What is the InChIKey of (1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methyl-3-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is RGYQNYRYUROMBD-MDZRGWNJSA-N. The full InChI is InChI=1S/C19H15F2N3O2S/c1-10-13(3-2-8-22-10)15-16(19(15,21)18(25)24-26)14-9-23-17(27-14)11-4-6-12(20)7-5-11/h2-9,15-16,26H,1H3,(H,24,25)/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-(2-methyl-3-pyridinyl)cyclopropane-1-carboxamide?
(1S,2R,3S)-1-fluoro-2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methyl-3-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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-(2-methyl-3-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 72950689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).