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

C11H14F2N2OS — CID 159020339

IUPAC[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(2-ethyl-1,3-thiazol-4-yl)methanone
SMILESCCc1nc(C(=O)N2CC(F)(F)C[C@@H]2C)cs1
InChIInChI=1S/C11H14F2N2OS/c1-3-9-14-8(5-17-9)10(16)15-6-11(12,13)4-7(15)2/h5,7H,3-4,6H2,1-2H3/t7-/m0/s1
InChIKeyJTPMLLPCBIHANF-ZETCQYMHSA-N
MW260.31 g/mol
LogP2.58
Rot. Bonds2

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

[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(2-ethyl-1,3-thiazol-4-yl)methanone (PubChem CID 159020339) has the molecular formula C11H14F2N2OS and a molecular weight of 260.31 g/mol. Its IUPAC name is [(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(2-ethyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(2-ethyl-1,3-thiazol-4-yl)methanone
PubChem CID159020339
Molecular FormulaC11H14F2N2OS
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(2-ethyl-1,3-thiazol-4-yl)methanone
SMILESCCc1nc(C(=O)N2CC(F)(F)C[C@@H]2C)cs1
InChIInChI=1S/C11H14F2N2OS/c1-3-9-14-8(5-17-9)10(16)15-6-11(12,13)4-7(15)2/h5,7H,3-4,6H2,1-2H3/t7-/m0/s1
InChIKeyJTPMLLPCBIHANF-ZETCQYMHSA-N
XLogP2.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.58
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]-(2-ethyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(2-ethyl-1,3-thiazol-4-yl)methanone (CID 159020339) is [(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(2-ethyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(2-ethyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(2-ethyl-1,3-thiazol-4-yl)methanone is CCc1nc(C(=O)N2CC(F)(F)C[C@@H]2C)cs1.
What is the InChIKey of [(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(2-ethyl-1,3-thiazol-4-yl)methanone?
The InChIKey is JTPMLLPCBIHANF-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14F2N2OS/c1-3-9-14-8(5-17-9)10(16)15-6-11(12,13)4-7(15)2/h5,7H,3-4,6H2,1-2H3/t7-/m0/s1.
What are the key properties of [(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(2-ethyl-1,3-thiazol-4-yl)methanone?
[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(2-ethyl-1,3-thiazol-4-yl)methanone has a molecular weight of 260.31 g/mol, XLogP of 2.58, 2 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]-(2-ethyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 159020339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).