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

C12H18F2N2O2S — CID 103151338

IUPAC4-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine
SMILESNC1(c2csc(CCOCC(F)F)n2)CCOCC1
InChIInChI=1S/C12H18F2N2O2S/c13-10(14)7-18-4-1-11-16-9(8-19-11)12(15)2-5-17-6-3-12/h8,10H,1-7,15H2
InChIKeyDXSPAHVXFSECIA-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.93
Rot. Bonds6

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

4-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine (PubChem CID 103151338) has the molecular formula C12H18F2N2O2S and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine.

Molecular Properties

Compound Name4-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine
PubChem CID103151338
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC Name4-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine
SMILESNC1(c2csc(CCOCC(F)F)n2)CCOCC1
InChIInChI=1S/C12H18F2N2O2S/c13-10(14)7-18-4-1-11-16-9(8-19-11)12(15)2-5-17-6-3-12/h8,10H,1-7,15H2
InChIKeyDXSPAHVXFSECIA-UHFFFAOYSA-N
XLogP1.93
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-Methyl-1,3-thiazol-2-yl)oxan-4-amine
CID 61331850
1,1,1-Trifluoro-2-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 102929654
3-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-3-amine
CID 103151279
1,1,1-Trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 103151283
4-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine
CID 103151292
2-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 103151295
3-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine
CID 103151299
1-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine
CID 103151301
1-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine
CID 103151304
2-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine
CID 103151305
1-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropan-1-amine
CID 103151307
2-Methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-1-amine
CID 103151317

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine?
The IUPAC name of 4-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine (CID 103151338) is 4-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine.
What is the SMILES notation for 4-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine?
The canonical SMILES for 4-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine is NC1(c2csc(CCOCC(F)F)n2)CCOCC1.
What is the InChIKey of 4-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine?
The InChIKey is DXSPAHVXFSECIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c13-10(14)7-18-4-1-11-16-9(8-19-11)12(15)2-5-17-6-3-12/h8,10H,1-7,15H2.
What are the key properties of 4-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine?
4-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine has a molecular weight of 292.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxan-4-amine is sourced from PubChem (CID 103151338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).