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

C18H13F2N3O2S — CID 72950861

IUPAC(1S,2R,3S)-1-fluoro-2-[2-(5-fluoro-2-pyridinyl)-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)cn2)s1
InChIInChI=1S/C18H13F2N3O2S/c19-11-6-7-12(21-8-11)16-22-9-13(26-16)15-14(10-4-2-1-3-5-10)18(15,20)17(24)23-25/h1-9,14-15,25H,(H,23,24)/t14-,15-,18+/m1/s1
InChIKeySNWTYYPPLPJPFW-RKVPGOIHSA-N
MW373.38 g/mol
LogP3.44
Rot. Bonds4

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

(1S,2R,3S)-1-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide (PubChem CID 72950861) has the molecular formula C18H13F2N3O2S and a molecular weight of 373.38 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-phenylcyclopropane-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-phenylcyclopropane-1-carboxamide
PubChem CID72950861
Molecular FormulaC18H13F2N3O2S
Molecular Weight373.38 g/mol
Exact Mass373.07
IUPAC Name(1S,2R,3S)-1-fluoro-2-[2-(5-fluoro-2-pyridinyl)-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)cn2)s1
InChIInChI=1S/C18H13F2N3O2S/c19-11-6-7-12(21-8-11)16-22-9-13(26-16)15-14(10-4-2-1-3-5-10)18(15,20)17(24)23-25/h1-9,14-15,25H,(H,23,24)/t14-,15-,18+/m1/s1
InChIKeySNWTYYPPLPJPFW-RKVPGOIHSA-N
XLogP3.44
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.44
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

2-(2-fluorophenyl)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 16387386
5-(5-(2-(4-fluorobenzylamino)ethyl)pyridin-2-yl)-N-hydroxythiophene-2-carboxamide
CID 44418220
5-[4-Methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyridine-2-carboxamide
CID 137662140
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
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
3-[2-[4-(Trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]benzamide
CID 22049704
2-[6-(4-fluorophenyl)-3-pyridinyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 24987525

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-phenylcyclopropane-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-phenylcyclopropane-1-carboxamide (CID 72950861) is (1S,2R,3S)-1-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-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-phenylcyclopropane-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-phenylcyclopropane-1-carboxamide is O=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1cnc(-c2ccc(F)cn2)s1.
What is the InChIKey of (1S,2R,3S)-1-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The InChIKey is SNWTYYPPLPJPFW-RKVPGOIHSA-N. The full InChI is InChI=1S/C18H13F2N3O2S/c19-11-6-7-12(21-8-11)16-22-9-13(26-16)15-14(10-4-2-1-3-5-10)18(15,20)17(24)23-25/h1-9,14-15,25H,(H,23,24)/t14-,15-,18+/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-phenylcyclopropane-1-carboxamide?
(1S,2R,3S)-1-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 3.44, 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-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 72950861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).