[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

C9H10F2N2OS — CID 174870276

IUPAC[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESC[C@H]1CC(F)(F)CN1C(=O)c1cscn1
InChIInChI=1S/C9H10F2N2OS/c1-6-2-9(10,11)4-13(6)8(14)7-3-15-5-12-7/h3,5-6H,2,4H2,1H3/t6-/m0/s1
InChIKeyCAQGJGWVQYYKBQ-LURJTMIESA-N
MW232.25 g/mol
LogP2.01
Rot. Bonds1

About [(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 174870276) has the molecular formula C9H10F2N2OS and a molecular weight of 232.25 g/mol. Its IUPAC name is [(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID174870276
Molecular FormulaC9H10F2N2OS
Molecular Weight232.25 g/mol
Exact Mass232.05
IUPAC Name[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESC[C@H]1CC(F)(F)CN1C(=O)c1cscn1
InChIInChI=1S/C9H10F2N2OS/c1-6-2-9(10,11)4-13(6)8(14)7-3-15-5-12-7/h3,5-6H,2,4H2,1H3/t6-/m0/s1
InChIKeyCAQGJGWVQYYKBQ-LURJTMIESA-N
XLogP2.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 174870276) is [(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is C[C@H]1CC(F)(F)CN1C(=O)c1cscn1.
What is the InChIKey of [(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is CAQGJGWVQYYKBQ-LURJTMIESA-N. The full InChI is InChI=1S/C9H10F2N2OS/c1-6-2-9(10,11)4-13(6)8(14)7-3-15-5-12-7/h3,5-6H,2,4H2,1H3/t6-/m0/s1.
What are the key properties of [(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 232.25 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 174870276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).