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

C13H15FN2OS — CID 79775240

IUPAC5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2ccc(F)cc2)s1
InChIInChI=1S/C13H15FN2OS/c1-2-7-15-13-16-8-12(18-13)9-17-11-5-3-10(14)4-6-11/h3-6,8H,2,7,9H2,1H3,(H,15,16)
InChIKeyQOYAQXCQKRTMPV-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.68
Rot. Bonds6

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

5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79775240) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79775240
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2ccc(F)cc2)s1
InChIInChI=1S/C13H15FN2OS/c1-2-7-15-13-16-8-12(18-13)9-17-11-5-3-10(14)4-6-11/h3-6,8H,2,7,9H2,1H3,(H,15,16)
InChIKeyQOYAQXCQKRTMPV-UHFFFAOYSA-N
XLogP3.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79762271
5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775254
5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774581
5-[(4-bromo-3-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775262
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-[(2-fluoro-5-methylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774701
[2-[[2-(propylamino)-1,3-thiazol-5-yl]methoxy]phenyl]methanol
CID 79775065
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
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

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine (CID 79775240) is 5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(COc2ccc(F)cc2)s1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is QOYAQXCQKRTMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-2-7-15-13-16-8-12(18-13)9-17-11-5-3-10(14)4-6-11/h3-6,8H,2,7,9H2,1H3,(H,15,16).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 266.34 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79775240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).