cis-(1R,2S)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-fluorocyclopentan-1-amine

C9H12ClFN2S — CID 126997360

IUPACcis-(1R,2S)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-fluorocyclopentan-1-amine
SMILESF[C@H]1CCC[C@H]1NCc1ncc(Cl)s1
InChIInChI=1S/C9H12ClFN2S/c10-8-4-13-9(14-8)5-12-7-3-1-2-6(7)11/h4,6-7,12H,1-3,5H2/t6-,7+/m0/s1
InChIKeyRBONPDSBAPCEEQ-NKWVEPMBSA-N
MW234.73 g/mol
LogP2.78
Rot. Bonds3

About cis-(1R,2S)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-fluorocyclopentan-1-amine

cis-(1R,2S)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-fluorocyclopentan-1-amine (PubChem CID 126997360) has the molecular formula C9H12ClFN2S and a molecular weight of 234.73 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-fluorocyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-fluorocyclopentan-1-amine
PubChem CID126997360
Molecular FormulaC9H12ClFN2S
Molecular Weight234.73 g/mol
Exact Mass234.04
IUPAC Namecis-(1R,2S)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-fluorocyclopentan-1-amine
SMILESF[C@H]1CCC[C@H]1NCc1ncc(Cl)s1
InChIInChI=1S/C9H12ClFN2S/c10-8-4-13-9(14-8)5-12-7-3-1-2-6(7)11/h4,6-7,12H,1-3,5H2/t6-,7+/m0/s1
InChIKeyRBONPDSBAPCEEQ-NKWVEPMBSA-N
XLogP2.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-fluorocyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-fluorocyclopentan-1-amine (CID 126997360) is cis-(1R,2S)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-fluorocyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-fluorocyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-fluorocyclopentan-1-amine is F[C@H]1CCC[C@H]1NCc1ncc(Cl)s1.
What is the InChIKey of cis-(1R,2S)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-fluorocyclopentan-1-amine?
The InChIKey is RBONPDSBAPCEEQ-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H12ClFN2S/c10-8-4-13-9(14-8)5-12-7-3-1-2-6(7)11/h4,6-7,12H,1-3,5H2/t6-,7+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-fluorocyclopentan-1-amine?
cis-(1R,2S)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-fluorocyclopentan-1-amine has a molecular weight of 234.73 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-fluorocyclopentan-1-amine is sourced from PubChem (CID 126997360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).