2,2-difluoro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide

C15H15F2N3OS — CID 166432953

IUPAC2,2-difluoro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide
SMILESO=C(N[C@@H]1CNC[C@H]1c1ccccc1)C(F)(F)c1cncs1
InChIInChI=1S/C15H15F2N3OS/c16-15(17,13-8-19-9-22-13)14(21)20-12-7-18-6-11(12)10-4-2-1-3-5-10/h1-5,8-9,11-12,18H,6-7H2,(H,20,21)/t11-,12+/m0/s1
InChIKeyUZMVNAUXQUIGBS-NWDGAFQWSA-N
MW323.37 g/mol
LogP2.11
Rot. Bonds4

About 2,2-difluoro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide

2,2-difluoro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide (PubChem CID 166432953) has the molecular formula C15H15F2N3OS and a molecular weight of 323.37 g/mol. Its IUPAC name is 2,2-difluoro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide
PubChem CID166432953
Molecular FormulaC15H15F2N3OS
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2,2-difluoro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide
SMILESO=C(N[C@@H]1CNC[C@H]1c1ccccc1)C(F)(F)c1cncs1
InChIInChI=1S/C15H15F2N3OS/c16-15(17,13-8-19-9-22-13)14(21)20-12-7-18-6-11(12)10-4-2-1-3-5-10/h1-5,8-9,11-12,18H,6-7H2,(H,20,21)/t11-,12+/m0/s1
InChIKeyUZMVNAUXQUIGBS-NWDGAFQWSA-N
XLogP2.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide (CID 166432953) is 2,2-difluoro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide is O=C(N[C@@H]1CNC[C@H]1c1ccccc1)C(F)(F)c1cncs1.
What is the InChIKey of 2,2-difluoro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide?
The InChIKey is UZMVNAUXQUIGBS-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H15F2N3OS/c16-15(17,13-8-19-9-22-13)14(21)20-12-7-18-6-11(12)10-4-2-1-3-5-10/h1-5,8-9,11-12,18H,6-7H2,(H,20,21)/t11-,12+/m0/s1.
What are the key properties of 2,2-difluoro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide?
2,2-difluoro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide has a molecular weight of 323.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 166432953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).