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

C19H15F2N3O2S — CID 72950862

IUPAC(1S,2R,3S)-1-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1[C@@H]1[C@@H](c2cnc(-c3ccc(F)cn3)s2)[C@]1(F)C(=O)NO
InChIInChI=1S/C19H15F2N3O2S/c1-10-4-2-3-5-12(10)15-16(19(15,21)18(25)24-26)14-9-23-17(27-14)13-7-6-11(20)8-22-13/h2-9,15-16,26H,1H3,(H,24,25)/t15-,16-,19+/m1/s1
InChIKeyFIYCCGQHAPBPHI-MDZRGWNJSA-N
MW387.41 g/mol
LogP3.75
Rot. Bonds4

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

(1S,2R,3S)-1-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 72950862) 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-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S,2R,3S)-1-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide
PubChem CID72950862
Molecular FormulaC19H15F2N3O2S
Molecular Weight387.41 g/mol
Exact Mass387.09
IUPAC Name(1S,2R,3S)-1-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1[C@@H]1[C@@H](c2cnc(-c3ccc(F)cn3)s2)[C@]1(F)C(=O)NO
InChIInChI=1S/C19H15F2N3O2S/c1-10-4-2-3-5-12(10)15-16(19(15,21)18(25)24-26)14-9-23-17(27-14)13-7-6-11(20)8-22-13/h2-9,15-16,26H,1H3,(H,24,25)/t15-,16-,19+/m1/s1
InChIKeyFIYCCGQHAPBPHI-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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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-1-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of (1S,2R,3S)-1-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide (CID 72950862) is (1S,2R,3S)-1-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S,2R,3S)-1-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S,2R,3S)-1-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide is Cc1ccccc1[C@@H]1[C@@H](c2cnc(-c3ccc(F)cn3)s2)[C@]1(F)C(=O)NO.
What is the InChIKey of (1S,2R,3S)-1-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is FIYCCGQHAPBPHI-MDZRGWNJSA-N. The full InChI is InChI=1S/C19H15F2N3O2S/c1-10-4-2-3-5-12(10)15-16(19(15,21)18(25)24-26)14-9-23-17(27-14)13-7-6-11(20)8-22-13/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-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide?
(1S,2R,3S)-1-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methylphenyl)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-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 72950862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).