N-[[4-(2,2-difluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine

C18H22F2N2OS — CID 71871290

IUPACN-[[4-(2,2-difluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESCc1csc(C2(NCc3ccc(OCC(F)F)cc3)CCCC2)n1
InChIInChI=1S/C18H22F2N2OS/c1-13-12-24-17(22-13)18(8-2-3-9-18)21-10-14-4-6-15(7-5-14)23-11-16(19)20/h4-7,12,16,21H,2-3,8-11H2,1H3
InChIKeyLOVGNEXAMLHWHB-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.65
Rot. Bonds7

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

N-[[4-(2,2-difluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine (PubChem CID 71871290) has the molecular formula C18H22F2N2OS and a molecular weight of 352.45 g/mol. Its IUPAC name is N-[[4-(2,2-difluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-[[4-(2,2-difluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine
PubChem CID71871290
Molecular FormulaC18H22F2N2OS
Molecular Weight352.45 g/mol
Exact Mass352.14
IUPAC NameN-[[4-(2,2-difluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESCc1csc(C2(NCc3ccc(OCC(F)F)cc3)CCCC2)n1
InChIInChI=1S/C18H22F2N2OS/c1-13-12-24-17(22-13)18(8-2-3-9-18)21-10-14-4-6-15(7-5-14)23-11-16(19)20/h4-7,12,16,21H,2-3,8-11H2,1H3
InChIKeyLOVGNEXAMLHWHB-UHFFFAOYSA-N
XLogP4.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2-difluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine?
The IUPAC name of N-[[4-(2,2-difluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine (CID 71871290) is N-[[4-(2,2-difluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for N-[[4-(2,2-difluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for N-[[4-(2,2-difluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine is Cc1csc(C2(NCc3ccc(OCC(F)F)cc3)CCCC2)n1.
What is the InChIKey of N-[[4-(2,2-difluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine?
The InChIKey is LOVGNEXAMLHWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2OS/c1-13-12-24-17(22-13)18(8-2-3-9-18)21-10-14-4-6-15(7-5-14)23-11-16(19)20/h4-7,12,16,21H,2-3,8-11H2,1H3.
What are the key properties of N-[[4-(2,2-difluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine?
N-[[4-(2,2-difluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine has a molecular weight of 352.45 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2-difluoroethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 71871290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).