2-[(2R)-4,4-difluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole

C8H10F2N2S — CID 67452046

IUPAC2-[(2R)-4,4-difluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole
SMILESCc1csc([C@H]2CC(F)(F)CN2)n1
InChIInChI=1S/C8H10F2N2S/c1-5-3-13-7(12-5)6-2-8(9,10)4-11-6/h3,6,11H,2,4H2,1H3/t6-/m1/s1
InChIKeyBEQYNTOHEJSWNB-ZCFIWIBFSA-N
MW204.24 g/mol
LogP2.12
Rot. Bonds1

About 2-[(2R)-4,4-difluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole

2-[(2R)-4,4-difluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole (PubChem CID 67452046) has the molecular formula C8H10F2N2S and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-[(2R)-4,4-difluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2R)-4,4-difluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole
PubChem CID67452046
Molecular FormulaC8H10F2N2S
Molecular Weight204.24 g/mol
Exact Mass204.05
IUPAC Name2-[(2R)-4,4-difluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole
SMILESCc1csc([C@H]2CC(F)(F)CN2)n1
InChIInChI=1S/C8H10F2N2S/c1-5-3-13-7(12-5)6-2-8(9,10)4-11-6/h3,6,11H,2,4H2,1H3/t6-/m1/s1
InChIKeyBEQYNTOHEJSWNB-ZCFIWIBFSA-N
XLogP2.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl(((4-(trifluoromethyl)-1,3-thiazol-2-yl)methyl))amine
CID 3353222
1-(4-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 4558721
4-Methyl-2-(pyrrolidin-3-yl)-1,3-thiazole
CID 12150004
4-Methyl-2-(pyrrolidin-2-yl)-1,3-thiazole
CID 22256522
4-Methyl-2-((pyrrolidin-2-yl)methyl)-1,3-thiazole
CID 24262084
Cyclopropyl(4-methyl-1,3-thiazol-2-yl)methanamine
CID 46785177
2,2,2-Trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 50987741
2-methyl-4-((2S)-pyrrolidin-2-yl)-1,3-thiazole
CID 55296267
2-Methyl-4-(pyrrolidin-2-yl)-1,3-thiazole
CID 55297996
1-(4-(Trifluoromethyl)-1,3-thiazol-2-yl)propan-1-amine
CID 56828512
[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 119030853
2-methyl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 75481325

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4,4-difluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(2R)-4,4-difluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole (CID 67452046) is 2-[(2R)-4,4-difluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(2R)-4,4-difluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(2R)-4,4-difluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole is Cc1csc([C@H]2CC(F)(F)CN2)n1.
What is the InChIKey of 2-[(2R)-4,4-difluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole?
The InChIKey is BEQYNTOHEJSWNB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10F2N2S/c1-5-3-13-7(12-5)6-2-8(9,10)4-11-6/h3,6,11H,2,4H2,1H3/t6-/m1/s1.
What are the key properties of 2-[(2R)-4,4-difluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole?
2-[(2R)-4,4-difluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole has a molecular weight of 204.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4,4-difluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 67452046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).