2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine

C8H10ClFN2S — CID 130654011

IUPAC2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine
SMILESF[C@H]1CCC[C@H]1Nc1csc(Cl)n1
InChIInChI=1S/C8H10ClFN2S/c9-8-12-7(4-13-8)11-6-3-1-2-5(6)10/h4-6,11H,1-3H2/t5-,6+/m0/s1
InChIKeyZYCYUPNKRIBAOL-NTSWFWBYSA-N
MW220.70 g/mol
LogP3.10
Rot. Bonds2

About 2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine

2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine (PubChem CID 130654011) has the molecular formula C8H10ClFN2S and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine
PubChem CID130654011
Molecular FormulaC8H10ClFN2S
Molecular Weight220.70 g/mol
Exact Mass220.02
IUPAC Name2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine
SMILESF[C@H]1CCC[C@H]1Nc1csc(Cl)n1
InChIInChI=1S/C8H10ClFN2S/c9-8-12-7(4-13-8)11-6-3-1-2-5(6)10/h4-6,11H,1-3H2/t5-,6+/m0/s1
InChIKeyZYCYUPNKRIBAOL-NTSWFWBYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine?
The IUPAC name of 2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine (CID 130654011) is 2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine.
What is the SMILES notation for 2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine?
The canonical SMILES for 2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine is F[C@H]1CCC[C@H]1Nc1csc(Cl)n1.
What is the InChIKey of 2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine?
The InChIKey is ZYCYUPNKRIBAOL-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H10ClFN2S/c9-8-12-7(4-13-8)11-6-3-1-2-5(6)10/h4-6,11H,1-3H2/t5-,6+/m0/s1.
What are the key properties of 2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine?
2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine has a molecular weight of 220.70 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine is sourced from PubChem (CID 130654011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).