N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine

C8H11ClF2N2OS — CID 103080942

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine
SMILESFC(F)COCCNCc1ncc(Cl)s1
InChIInChI=1S/C8H11ClF2N2OS/c9-6-3-13-8(15-6)4-12-1-2-14-5-7(10)11/h3,7,12H,1-2,4-5H2
InChIKeyAIMRXBVFXFRRPK-UHFFFAOYSA-N
MW256.70 g/mol
LogP2.17
Rot. Bonds7

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

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine (PubChem CID 103080942) has the molecular formula C8H11ClF2N2OS and a molecular weight of 256.70 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine
PubChem CID103080942
Molecular FormulaC8H11ClF2N2OS
Molecular Weight256.70 g/mol
Exact Mass256.02
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine
SMILESFC(F)COCCNCc1ncc(Cl)s1
InChIInChI=1S/C8H11ClF2N2OS/c9-6-3-13-8(15-6)4-12-1-2-14-5-7(10)11/h3,7,12H,1-2,4-5H2
InChIKeyAIMRXBVFXFRRPK-UHFFFAOYSA-N
XLogP2.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 52.17
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-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine (CID 103080942) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine is FC(F)COCCNCc1ncc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine?
The InChIKey is AIMRXBVFXFRRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF2N2OS/c9-6-3-13-8(15-6)4-12-1-2-14-5-7(10)11/h3,7,12H,1-2,4-5H2.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine has a molecular weight of 256.70 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine is sourced from PubChem (CID 103080942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).