4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

C10H11F2N3O2S — CID 175334756

IUPAC4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESC[C@H]1CC(F)(F)CN1C(=O)c1csc(C(N)=O)n1
InChIInChI=1S/C10H11F2N3O2S/c1-5-2-10(11,12)4-15(5)9(17)6-3-18-8(14-6)7(13)16/h3,5H,2,4H2,1H3,(H2,13,16)/t5-/m0/s1
InChIKeyMGBSJJDZHWZFEF-YFKPBYRVSA-N
MW275.28 g/mol
LogP1.11
Rot. Bonds2

About 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 175334756) has the molecular formula C10H11F2N3O2S and a molecular weight of 275.28 g/mol. Its IUPAC name is 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
PubChem CID175334756
Molecular FormulaC10H11F2N3O2S
Molecular Weight275.28 g/mol
Exact Mass275.05
IUPAC Name4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESC[C@H]1CC(F)(F)CN1C(=O)c1csc(C(N)=O)n1
InChIInChI=1S/C10H11F2N3O2S/c1-5-2-10(11,12)4-15(5)9(17)6-3-18-8(14-6)7(13)16/h3,5H,2,4H2,1H3,(H2,13,16)/t5-/m0/s1
InChIKeyMGBSJJDZHWZFEF-YFKPBYRVSA-N
XLogP1.11
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (CID 175334756) is 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is C[C@H]1CC(F)(F)CN1C(=O)c1csc(C(N)=O)n1.
What is the InChIKey of 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The InChIKey is MGBSJJDZHWZFEF-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H11F2N3O2S/c1-5-2-10(11,12)4-15(5)9(17)6-3-18-8(14-6)7(13)16/h3,5H,2,4H2,1H3,(H2,13,16)/t5-/m0/s1.
What are the key properties of 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 175334756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).