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

C16H17FN2OS — CID 105158996

IUPAC1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C16H17FN2OS/c1-9-13-6-11(17)4-5-15(13)20-16(9)14(18-3)7-12-8-21-10(2)19-12/h4-6,8,14,18H,7H2,1-3H3
InChIKeyLXOKRYJBWGUFKD-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.15
Rot. Bonds4

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

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 105158996) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID105158996
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C16H17FN2OS/c1-9-13-6-11(17)4-5-15(13)20-16(9)14(18-3)7-12-8-21-10(2)19-12/h4-6,8,14,18H,7H2,1-3H3
InChIKeyLXOKRYJBWGUFKD-UHFFFAOYSA-N
XLogP4.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 105137498
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 105113810
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 82769777
2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 105151601
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine
CID 105282165
1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62800227
1-(2,4-difluorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799683
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 105373853
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105080133
N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]oxamide
CID 86881173
1-(4-fluorophenyl)sulfanyl-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66071610
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 105092272

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 105158996) is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is CNC(Cc1csc(C)n1)c1oc2ccc(F)cc2c1C.
What is the InChIKey of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is LXOKRYJBWGUFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-9-13-6-11(17)4-5-15(13)20-16(9)14(18-3)7-12-8-21-10(2)19-12/h4-6,8,14,18H,7H2,1-3H3.
What are the key properties of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 304.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 105158996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).