2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-2-yl)phenyl]propan-2-yl]acetamide

C14H13Cl2FN2O2S — CID 58631197

IUPAC2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-2-yl)phenyl]propan-2-yl]acetamide
SMILESO=C(N[C@H](CF)[C@H](O)c1ccc(-c2nccs2)cc1)C(Cl)Cl
InChIInChI=1S/C14H13Cl2FN2O2S/c15-12(16)13(21)19-10(7-17)11(20)8-1-3-9(4-2-8)14-18-5-6-22-14/h1-6,10-12,20H,7H2,(H,19,21)/t10-,11-/m1/s1
InChIKeyHAUZZTZXECDWFS-GHMZBOCLSA-N
MW363.24 g/mol
LogP3.10
Rot. Bonds6

About 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-2-yl)phenyl]propan-2-yl]acetamide

2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-2-yl)phenyl]propan-2-yl]acetamide (PubChem CID 58631197) has the molecular formula C14H13Cl2FN2O2S and a molecular weight of 363.24 g/mol. Its IUPAC name is 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-2-yl)phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-2-yl)phenyl]propan-2-yl]acetamide
PubChem CID58631197
Molecular FormulaC14H13Cl2FN2O2S
Molecular Weight363.24 g/mol
Exact Mass362.01
IUPAC Name2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-2-yl)phenyl]propan-2-yl]acetamide
SMILESO=C(N[C@H](CF)[C@H](O)c1ccc(-c2nccs2)cc1)C(Cl)Cl
InChIInChI=1S/C14H13Cl2FN2O2S/c15-12(16)13(21)19-10(7-17)11(20)8-1-3-9(4-2-8)14-18-5-6-22-14/h1-6,10-12,20H,7H2,(H,19,21)/t10-,11-/m1/s1
InChIKeyHAUZZTZXECDWFS-GHMZBOCLSA-N
XLogP3.10
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-2-yl)phenyl]propan-2-yl]acetamide?
The IUPAC name of 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-2-yl)phenyl]propan-2-yl]acetamide (CID 58631197) is 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-2-yl)phenyl]propan-2-yl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-2-yl)phenyl]propan-2-yl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-2-yl)phenyl]propan-2-yl]acetamide is O=C(N[C@H](CF)[C@H](O)c1ccc(-c2nccs2)cc1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-2-yl)phenyl]propan-2-yl]acetamide?
The InChIKey is HAUZZTZXECDWFS-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H13Cl2FN2O2S/c15-12(16)13(21)19-10(7-17)11(20)8-1-3-9(4-2-8)14-18-5-6-22-14/h1-6,10-12,20H,7H2,(H,19,21)/t10-,11-/m1/s1.
What are the key properties of 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-2-yl)phenyl]propan-2-yl]acetamide?
2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-2-yl)phenyl]propan-2-yl]acetamide has a molecular weight of 363.24 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-2-yl)phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 58631197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).