5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine

C13H14F2N2OS — CID 79775254

IUPAC5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2ccc(F)c(F)c2)s1
InChIInChI=1S/C13H14F2N2OS/c1-2-5-16-13-17-7-10(19-13)8-18-9-3-4-11(14)12(15)6-9/h3-4,6-7H,2,5,8H2,1H3,(H,16,17)
InChIKeyLIQBYLOTADNTRY-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.82
Rot. Bonds6

About 5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine

5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79775254) has the molecular formula C13H14F2N2OS and a molecular weight of 284.33 g/mol. Its IUPAC name is 5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79775254
Molecular FormulaC13H14F2N2OS
Molecular Weight284.33 g/mol
Exact Mass284.08
IUPAC Name5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2ccc(F)c(F)c2)s1
InChIInChI=1S/C13H14F2N2OS/c1-2-5-16-13-17-7-10(19-13)8-18-9-3-4-11(14)12(15)6-9/h3-4,6-7H,2,5,8H2,1H3,(H,16,17)
InChIKeyLIQBYLOTADNTRY-UHFFFAOYSA-N
XLogP3.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-bromo-3-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775262
5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775240
5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79762271
5-[(2-fluoro-5-methylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774701
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 79774302
5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774113
5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774869
5-[(3-chloro-4-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79775260
5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774581
N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774785
N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 79774764
5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774030

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine (CID 79775254) is 5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(COc2ccc(F)c(F)c2)s1.
What is the InChIKey of 5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is LIQBYLOTADNTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2OS/c1-2-5-16-13-17-7-10(19-13)8-18-9-3-4-11(14)12(15)6-9/h3-4,6-7H,2,5,8H2,1H3,(H,16,17).
What are the key properties of 5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 284.33 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79775254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).