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

C13H20F2N2OS — CID 103151352

IUPAC1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine
SMILESNC1(c2csc(CCOCC(F)F)n2)CCCCC1
InChIInChI=1S/C13H20F2N2OS/c14-11(15)8-18-7-4-12-17-10(9-19-12)13(16)5-2-1-3-6-13/h9,11H,1-8,16H2
InChIKeySQXUCTVQBMOHBX-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.09
Rot. Bonds6

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

1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine (PubChem CID 103151352) has the molecular formula C13H20F2N2OS and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine
PubChem CID103151352
Molecular FormulaC13H20F2N2OS
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine
SMILESNC1(c2csc(CCOCC(F)F)n2)CCCCC1
InChIInChI=1S/C13H20F2N2OS/c14-11(15)8-18-7-4-12-17-10(9-19-12)13(16)5-2-1-3-6-13/h9,11H,1-8,16H2
InChIKeySQXUCTVQBMOHBX-UHFFFAOYSA-N
XLogP3.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.09
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]cyclohexan-1-amine?
The IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine (CID 103151352) is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine is NC1(c2csc(CCOCC(F)F)n2)CCCCC1.
What is the InChIKey of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine?
The InChIKey is SQXUCTVQBMOHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2OS/c14-11(15)8-18-7-4-12-17-10(9-19-12)13(16)5-2-1-3-6-13/h9,11H,1-8,16H2.
What are the key properties of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine?
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine has a molecular weight of 290.38 g/mol, XLogP of 3.09, 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]cyclohexan-1-amine is sourced from PubChem (CID 103151352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).