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

C14H17FN2OS — CID 102876436

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

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

N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 102876436) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID102876436
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCOc1ccc(CNC(C)c2nc(C)cs2)c(F)c1
InChIInChI=1S/C14H17FN2OS/c1-9-8-19-14(17-9)10(2)16-7-11-4-5-12(18-3)6-13(11)15/h4-6,8,10,16H,7H2,1-3H3
InChIKeyIVMHBMSJHTXDEP-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-[(2-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 102876436) is N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is COc1ccc(CNC(C)c2nc(C)cs2)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is IVMHBMSJHTXDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-9-8-19-14(17-9)10(2)16-7-11-4-5-12(18-3)6-13(11)15/h4-6,8,10,16H,7H2,1-3H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(2-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-[(2-fluoro-4-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 102876436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).