N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine

C16H21FN2OS — CID 43728621

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(F)cc1C(C)NC(C)c1nc(C)sc1C
InChIInChI=1S/C16H21FN2OS/c1-9(14-8-13(17)6-7-15(14)20-5)18-10(2)16-11(3)21-12(4)19-16/h6-10,18H,1-5H3
InChIKeyCNKPNBSETLEZNN-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.32
Rot. Bonds5

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine (PubChem CID 43728621) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
PubChem CID43728621
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(F)cc1C(C)NC(C)c1nc(C)sc1C
InChIInChI=1S/C16H21FN2OS/c1-9(14-8-13(17)6-7-15(14)20-5)18-10(2)16-11(3)21-12(4)19-16/h6-10,18H,1-5H3
InChIKeyCNKPNBSETLEZNN-UHFFFAOYSA-N
XLogP4.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine (CID 43728621) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine is COc1ccc(F)cc1C(C)NC(C)c1nc(C)sc1C.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The InChIKey is CNKPNBSETLEZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS/c1-9(14-8-13(17)6-7-15(14)20-5)18-10(2)16-11(3)21-12(4)19-16/h6-10,18H,1-5H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine has a molecular weight of 308.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 43728621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).