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

C16H21FN2OS — CID 82423991

IUPACN-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(CCOc2ccc(F)cc2)s1
InChIInChI=1S/C16H21FN2OS/c1-12(2)9-18-10-15-11-19-16(21-15)7-8-20-14-5-3-13(17)4-6-14/h3-6,11-12,18H,7-10H2,1-2H3
InChIKeyXNMDKIKOGWMDRN-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.65
Rot. Bonds8

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

N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 82423991) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID82423991
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC NameN-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(CCOc2ccc(F)cc2)s1
InChIInChI=1S/C16H21FN2OS/c1-12(2)9-18-10-15-11-19-16(21-15)7-8-20-14-5-3-13(17)4-6-14/h3-6,11-12,18H,7-10H2,1-2H3
InChIKeyXNMDKIKOGWMDRN-UHFFFAOYSA-N
XLogP3.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191156
N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404813
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82423990
N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 60685910
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82424083
N-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191171
N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 79412381
1-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82191088
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424084
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404978
2-methyl-N-[[2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62402711
N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82423033

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 82423991) is N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(CCOc2ccc(F)cc2)s1.
What is the InChIKey of N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is XNMDKIKOGWMDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS/c1-12(2)9-18-10-15-11-19-16(21-15)7-8-20-14-5-3-13(17)4-6-14/h3-6,11-12,18H,7-10H2,1-2H3.
What are the key properties of N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 308.42 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82423991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).