5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]-1,3-thiazol-2-amine

C8H10BrFN2S — CID 130690760

IUPAC5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]-1,3-thiazol-2-amine
SMILESF[C@@H]1CCC[C@@H]1Nc1ncc(Br)s1
InChIInChI=1S/C8H10BrFN2S/c9-7-4-11-8(13-7)12-6-3-1-2-5(6)10/h4-6H,1-3H2,(H,11,12)/t5-,6+/m1/s1
InChIKeyYEPSLWQTIAYVKB-RITPCOANSA-N
MW265.15 g/mol
LogP3.21
Rot. Bonds2

About 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]-1,3-thiazol-2-amine

5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]-1,3-thiazol-2-amine (PubChem CID 130690760) has the molecular formula C8H10BrFN2S and a molecular weight of 265.15 g/mol. Its IUPAC name is 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]-1,3-thiazol-2-amine
PubChem CID130690760
Molecular FormulaC8H10BrFN2S
Molecular Weight265.15 g/mol
Exact Mass263.97
IUPAC Name5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]-1,3-thiazol-2-amine
SMILESF[C@@H]1CCC[C@@H]1Nc1ncc(Br)s1
InChIInChI=1S/C8H10BrFN2S/c9-7-4-11-8(13-7)12-6-3-1-2-5(6)10/h4-6H,1-3H2,(H,11,12)/t5-,6+/m1/s1
InChIKeyYEPSLWQTIAYVKB-RITPCOANSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]-1,3-thiazol-2-amine (CID 130690760) is 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]-1,3-thiazol-2-amine is F[C@@H]1CCC[C@@H]1Nc1ncc(Br)s1.
What is the InChIKey of 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]-1,3-thiazol-2-amine?
The InChIKey is YEPSLWQTIAYVKB-RITPCOANSA-N. The full InChI is InChI=1S/C8H10BrFN2S/c9-7-4-11-8(13-7)12-6-3-1-2-5(6)10/h4-6H,1-3H2,(H,11,12)/t5-,6+/m1/s1.
What are the key properties of 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]-1,3-thiazol-2-amine?
5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]-1,3-thiazol-2-amine has a molecular weight of 265.15 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 130690760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).