2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-yl]acetamide

C14H13Cl2FN2O2S — CID 10316621

IUPAC2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-yl]acetamide
SMILESO=C(N[C@H](CF)[C@H](O)c1ccc(-c2cncs2)cc1)C(Cl)Cl
InChIInChI=1S/C14H13Cl2FN2O2S/c15-13(16)14(21)19-10(5-17)12(20)9-3-1-8(2-4-9)11-6-18-7-22-11/h1-4,6-7,10,12-13,20H,5H2,(H,19,21)/t10-,12-/m1/s1
InChIKeyJVLJRSUQPISLDM-ZYHUDNBSSA-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-5-yl)phenyl]propan-2-yl]acetamide

2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-yl]acetamide (PubChem CID 10316621) 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-5-yl)phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-yl]acetamide
PubChem CID10316621
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-5-yl)phenyl]propan-2-yl]acetamide
SMILESO=C(N[C@H](CF)[C@H](O)c1ccc(-c2cncs2)cc1)C(Cl)Cl
InChIInChI=1S/C14H13Cl2FN2O2S/c15-13(16)14(21)19-10(5-17)12(20)9-3-1-8(2-4-9)11-6-18-7-22-11/h1-4,6-7,10,12-13,20H,5H2,(H,19,21)/t10-,12-/m1/s1
InChIKeyJVLJRSUQPISLDM-ZYHUDNBSSA-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-5-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-5-yl)phenyl]propan-2-yl]acetamide (CID 10316621) is 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-5-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-5-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-5-yl)phenyl]propan-2-yl]acetamide is O=C(N[C@H](CF)[C@H](O)c1ccc(-c2cncs2)cc1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-yl]acetamide?
The InChIKey is JVLJRSUQPISLDM-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H13Cl2FN2O2S/c15-13(16)14(21)19-10(5-17)12(20)9-3-1-8(2-4-9)11-6-18-7-22-11/h1-4,6-7,10,12-13,20H,5H2,(H,19,21)/t10-,12-/m1/s1.
What are the key properties of 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-yl]acetamide?
2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-(1,3-thiazol-5-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-5-yl)phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 10316621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).