1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine

C10H16F2N2OS — CID 103150098

IUPAC1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(CCOCC(F)F)sc1C(C)N
InChIInChI=1S/C10H16F2N2OS/c1-6(13)10-7(2)14-9(16-10)3-4-15-5-8(11)12/h6,8H,3-5,13H2,1-2H3
InChIKeySVRYIMVLNHIGLT-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.30
Rot. Bonds6

About 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine

1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 103150098) has the molecular formula C10H16F2N2OS and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID103150098
Molecular FormulaC10H16F2N2OS
Molecular Weight250.31 g/mol
Exact Mass250.10
IUPAC Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(CCOCC(F)F)sc1C(C)N
InChIInChI=1S/C10H16F2N2OS/c1-6(13)10-7(2)14-9(16-10)3-4-15-5-8(11)12/h6,8H,3-5,13H2,1-2H3
InChIKeySVRYIMVLNHIGLT-UHFFFAOYSA-N
XLogP2.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.30
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]-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 103150098) is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine is Cc1nc(CCOCC(F)F)sc1C(C)N.
What is the InChIKey of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is SVRYIMVLNHIGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2OS/c1-6(13)10-7(2)14-9(16-10)3-4-15-5-8(11)12/h6,8H,3-5,13H2,1-2H3.
What are the key properties of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine?
1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 250.31 g/mol, XLogP of 2.30, 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]-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 103150098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).