4-bromo-N-(3,3-difluorocyclopentyl)-1,3-thiazol-2-amine

C8H9BrF2N2S — CID 130639035

IUPAC4-bromo-N-(3,3-difluorocyclopentyl)-1,3-thiazol-2-amine
SMILESFC1(F)CCC(Nc2nc(Br)cs2)C1
InChIInChI=1S/C8H9BrF2N2S/c9-6-4-14-7(13-6)12-5-1-2-8(10,11)3-5/h4-5H,1-3H2,(H,12,13)
InChIKeyKLXZLPISEUJHGU-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.51
Rot. Bonds2

About 4-bromo-N-(3,3-difluorocyclopentyl)-1,3-thiazol-2-amine

4-bromo-N-(3,3-difluorocyclopentyl)-1,3-thiazol-2-amine (PubChem CID 130639035) has the molecular formula C8H9BrF2N2S and a molecular weight of 283.14 g/mol. Its IUPAC name is 4-bromo-N-(3,3-difluorocyclopentyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(3,3-difluorocyclopentyl)-1,3-thiazol-2-amine
PubChem CID130639035
Molecular FormulaC8H9BrF2N2S
Molecular Weight283.14 g/mol
Exact Mass281.96
IUPAC Name4-bromo-N-(3,3-difluorocyclopentyl)-1,3-thiazol-2-amine
SMILESFC1(F)CCC(Nc2nc(Br)cs2)C1
InChIInChI=1S/C8H9BrF2N2S/c9-6-4-14-7(13-6)12-5-1-2-8(10,11)3-5/h4-5H,1-3H2,(H,12,13)
InChIKeyKLXZLPISEUJHGU-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,3-difluorocyclopentyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(3,3-difluorocyclopentyl)-1,3-thiazol-2-amine (CID 130639035) is 4-bromo-N-(3,3-difluorocyclopentyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(3,3-difluorocyclopentyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(3,3-difluorocyclopentyl)-1,3-thiazol-2-amine is FC1(F)CCC(Nc2nc(Br)cs2)C1.
What is the InChIKey of 4-bromo-N-(3,3-difluorocyclopentyl)-1,3-thiazol-2-amine?
The InChIKey is KLXZLPISEUJHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2S/c9-6-4-14-7(13-6)12-5-1-2-8(10,11)3-5/h4-5H,1-3H2,(H,12,13).
What are the key properties of 4-bromo-N-(3,3-difluorocyclopentyl)-1,3-thiazol-2-amine?
4-bromo-N-(3,3-difluorocyclopentyl)-1,3-thiazol-2-amine has a molecular weight of 283.14 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,3-difluorocyclopentyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130639035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).