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

C8H11FN2S — CID 57486722

IUPAC2-[(2R,4S)-4-fluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole
SMILESCc1csc([C@H]2C[C@H](F)CN2)n1
InChIInChI=1S/C8H11FN2S/c1-5-4-12-8(11-5)7-2-6(9)3-10-7/h4,6-7,10H,2-3H2,1H3/t6-,7+/m0/s1
InChIKeyHAUNYMXZYSACLZ-NKWVEPMBSA-N
MW186.25 g/mol
LogP1.82
Rot. Bonds1

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

2-[(2R,4S)-4-fluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole (PubChem CID 57486722) has the molecular formula C8H11FN2S and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[(2R,4S)-4-fluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2R,4S)-4-fluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole
PubChem CID57486722
Molecular FormulaC8H11FN2S
Molecular Weight186.25 g/mol
Exact Mass186.06
IUPAC Name2-[(2R,4S)-4-fluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole
SMILESCc1csc([C@H]2C[C@H](F)CN2)n1
InChIInChI=1S/C8H11FN2S/c1-5-4-12-8(11-5)7-2-6(9)3-10-7/h4,6-7,10H,2-3H2,1H3/t6-,7+/m0/s1
InChIKeyHAUNYMXZYSACLZ-NKWVEPMBSA-N
XLogP1.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S)-4-fluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(2R,4S)-4-fluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole (CID 57486722) is 2-[(2R,4S)-4-fluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(2R,4S)-4-fluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(2R,4S)-4-fluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole is Cc1csc([C@H]2C[C@H](F)CN2)n1.
What is the InChIKey of 2-[(2R,4S)-4-fluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole?
The InChIKey is HAUNYMXZYSACLZ-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H11FN2S/c1-5-4-12-8(11-5)7-2-6(9)3-10-7/h4,6-7,10H,2-3H2,1H3/t6-,7+/m0/s1.
What are the key properties of 2-[(2R,4S)-4-fluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole?
2-[(2R,4S)-4-fluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole has a molecular weight of 186.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S)-4-fluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 57486722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).