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

C13H22F2N2OS — CID 103151346

IUPAC3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1csc(CCOCC(F)F)n1
InChIInChI=1S/C13H22F2N2OS/c1-10(2)16-6-3-4-11-9-19-13(17-11)5-7-18-8-12(14)15/h9-10,12,16H,3-8H2,1-2H3
InChIKeyXUHXMQDMSRREIS-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.90
Rot. Bonds10

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

3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 103151346) has the molecular formula C13H22F2N2OS and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine
PubChem CID103151346
Molecular FormulaC13H22F2N2OS
Molecular Weight292.40 g/mol
Exact Mass292.14
IUPAC Name3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1csc(CCOCC(F)F)n1
InChIInChI=1S/C13H22F2N2OS/c1-10(2)16-6-3-4-11-9-19-13(17-11)5-7-18-8-12(14)15/h9-10,12,16H,3-8H2,1-2H3
InChIKeyXUHXMQDMSRREIS-UHFFFAOYSA-N
XLogP2.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.90
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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Related Compounds

3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine
CID 102929665
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 103150152
N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 103151329
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
CID 103150135
3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine
CID 103151323
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-2-methylbutan-1-amine
CID 103151365
N-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]propyl]-2-methylpropan-1-amine
CID 103213324
N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
CID 103150808
2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 106815851
N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 102625929
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150582
4-(chloromethyl)-2-[3-(2-methylpropoxy)propyl]-1,3-thiazole
CID 43138174

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine (CID 103151346) is 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine is CC(C)NCCCc1csc(CCOCC(F)F)n1.
What is the InChIKey of 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is XUHXMQDMSRREIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2OS/c1-10(2)16-6-3-4-11-9-19-13(17-11)5-7-18-8-12(14)15/h9-10,12,16H,3-8H2,1-2H3.
What are the key properties of 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine?
3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 292.40 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103151346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).