N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine

C14H17FN2OS — CID 63091949

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCOc1ccc(CNC(C)c2nc(C)cs2)cc1F
InChIInChI=1S/C14H17FN2OS/c1-9-8-19-14(17-9)10(2)16-7-11-4-5-13(18-3)12(15)6-11/h4-6,8,10,16H,7H2,1-3H3
InChIKeyXCCFVHPODVNPNQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.45
Rot. Bonds5

About N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine

N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 63091949) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID63091949
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCOc1ccc(CNC(C)c2nc(C)cs2)cc1F
InChIInChI=1S/C14H17FN2OS/c1-9-8-19-14(17-9)10(2)16-7-11-4-5-13(18-3)12(15)6-11/h4-6,8,10,16H,7H2,1-3H3
InChIKeyXCCFVHPODVNPNQ-UHFFFAOYSA-N
XLogP3.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 63091949) is N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is COc1ccc(CNC(C)c2nc(C)cs2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is XCCFVHPODVNPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-9-8-19-14(17-9)10(2)16-7-11-4-5-13(18-3)12(15)6-11/h4-6,8,10,16H,7H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 63091949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).