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

C15H19FN2OS — CID 82769448

IUPACN-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nc(C)cs1)c1cc(F)ccc1OC
InChIInChI=1S/C15H19FN2OS/c1-4-17-13(8-15-18-10(2)9-20-15)12-7-11(16)5-6-14(12)19-3/h5-7,9,13,17H,4,8H2,1-3H3
InChIKeyWOOSHDLURWJSGU-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.49
Rot. Bonds6

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

N-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 82769448) has the molecular formula C15H19FN2OS and a molecular weight of 294.40 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID82769448
Molecular FormulaC15H19FN2OS
Molecular Weight294.40 g/mol
Exact Mass294.12
IUPAC NameN-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nc(C)cs1)c1cc(F)ccc1OC
InChIInChI=1S/C15H19FN2OS/c1-4-17-13(8-15-18-10(2)9-20-15)12-7-11(16)5-6-14(12)19-3/h5-7,9,13,17H,4,8H2,1-3H3
InChIKeyWOOSHDLURWJSGU-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 82769305
1-(2-chlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62794990
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106645514
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(2-methylthiophen-3-yl)ethanamine
CID 102832315
1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62797403
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43492237
1-(2-tert-butylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019330
1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 81153300
N-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 107503890
1-(2-chlorofuran-3-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106692760
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 82769777
1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 105373850

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 82769448) is N-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is CCNC(Cc1nc(C)cs1)c1cc(F)ccc1OC.
What is the InChIKey of N-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is WOOSHDLURWJSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-4-17-13(8-15-18-10(2)9-20-15)12-7-11(16)5-6-14(12)19-3/h5-7,9,13,17H,4,8H2,1-3H3.
What are the key properties of N-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 294.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 82769448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).