1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclopentan-1-amine

C12H18F2N2OS — CID 103151366

IUPAC1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclopentan-1-amine
SMILESNC1(c2csc(CCOCC(F)F)n2)CCCC1
InChIInChI=1S/C12H18F2N2OS/c13-10(14)7-17-6-3-11-16-9(8-18-11)12(15)4-1-2-5-12/h8,10H,1-7,15H2
InChIKeyPCYLWYFFZDJMOM-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.70
Rot. Bonds6

About 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclopentan-1-amine

1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclopentan-1-amine (PubChem CID 103151366) has the molecular formula C12H18F2N2OS and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclopentan-1-amine
PubChem CID103151366
Molecular FormulaC12H18F2N2OS
Molecular Weight276.35 g/mol
Exact Mass276.11
IUPAC Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclopentan-1-amine
SMILESNC1(c2csc(CCOCC(F)F)n2)CCCC1
InChIInChI=1S/C12H18F2N2OS/c13-10(14)7-17-6-3-11-16-9(8-18-11)12(15)4-1-2-5-12/h8,10H,1-7,15H2
InChIKeyPCYLWYFFZDJMOM-UHFFFAOYSA-N
XLogP2.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclopentan-1-amine?
The IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclopentan-1-amine (CID 103151366) is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclopentan-1-amine is NC1(c2csc(CCOCC(F)F)n2)CCCC1.
What is the InChIKey of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclopentan-1-amine?
The InChIKey is PCYLWYFFZDJMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2OS/c13-10(14)7-17-6-3-11-16-9(8-18-11)12(15)4-1-2-5-12/h8,10H,1-7,15H2.
What are the key properties of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclopentan-1-amine?
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclopentan-1-amine has a molecular weight of 276.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclopentan-1-amine is sourced from PubChem (CID 103151366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).