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

C11H18F2N2OS — CID 103150156

IUPACN-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(CCOCC(F)F)n1
InChIInChI=1S/C11H18F2N2OS/c1-8(2)14-5-9-7-17-11(15-9)3-4-16-6-10(12)13/h7-8,10,14H,3-6H2,1-2H3
InChIKeyJESASZNETGBMBP-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.47
Rot. Bonds8

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

N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 103150156) has the molecular formula C11H18F2N2OS and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID103150156
Molecular FormulaC11H18F2N2OS
Molecular Weight264.34 g/mol
Exact Mass264.11
IUPAC NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(CCOCC(F)F)n1
InChIInChI=1S/C11H18F2N2OS/c1-8(2)14-5-9-7-17-11(15-9)3-4-16-6-10(12)13/h7-8,10,14H,3-6H2,1-2H3
InChIKeyJESASZNETGBMBP-UHFFFAOYSA-N
XLogP2.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.47
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 N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 103150156) is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine is CC(C)NCc1csc(CCOCC(F)F)n1.
What is the InChIKey of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is JESASZNETGBMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2OS/c1-8(2)14-5-9-7-17-11(15-9)3-4-16-6-10(12)13/h7-8,10,14H,3-6H2,1-2H3.
What are the key properties of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine?
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 264.34 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 103150156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).