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

C9H12ClFN2S — CID 130878739

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-fluorocyclopentan-1-amine
SMILESFC1CCC(NCc2ncc(Cl)s2)C1
InChIInChI=1S/C9H12ClFN2S/c10-8-4-13-9(14-8)5-12-7-2-1-6(11)3-7/h4,6-7,12H,1-3,5H2
InChIKeyAFDPJJLCBLPEBY-UHFFFAOYSA-N
MW234.73 g/mol
LogP2.78
Rot. Bonds3

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

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-fluorocyclopentan-1-amine (PubChem CID 130878739) has the molecular formula C9H12ClFN2S and a molecular weight of 234.73 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-fluorocyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-fluorocyclopentan-1-amine
PubChem CID130878739
Molecular FormulaC9H12ClFN2S
Molecular Weight234.73 g/mol
Exact Mass234.04
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-fluorocyclopentan-1-amine
SMILESFC1CCC(NCc2ncc(Cl)s2)C1
InChIInChI=1S/C9H12ClFN2S/c10-8-4-13-9(14-8)5-12-7-2-1-6(11)3-7/h4,6-7,12H,1-3,5H2
InChIKeyAFDPJJLCBLPEBY-UHFFFAOYSA-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 N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-fluorocyclopentan-1-amine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-fluorocyclopentan-1-amine (CID 130878739) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-fluorocyclopentan-1-amine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-fluorocyclopentan-1-amine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-fluorocyclopentan-1-amine is FC1CCC(NCc2ncc(Cl)s2)C1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-fluorocyclopentan-1-amine?
The InChIKey is AFDPJJLCBLPEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2S/c10-8-4-13-9(14-8)5-12-7-2-1-6(11)3-7/h4,6-7,12H,1-3,5H2.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-fluorocyclopentan-1-amine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-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 N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-fluorocyclopentan-1-amine is sourced from PubChem (CID 130878739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).