1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

C15H18FN3S — CID 103503588

IUPAC1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(N2CCc3ccc(F)cc32)nc1C
InChIInChI=1S/C15H18FN3S/c1-9(17-3)14-10(2)18-15(20-14)19-7-6-11-4-5-12(16)8-13(11)19/h4-5,8-9,17H,6-7H2,1-3H3
InChIKeyRYANHAQPKOHYCQ-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.57
Rot. Bonds3

About 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 103503588) has the molecular formula C15H18FN3S and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID103503588
Molecular FormulaC15H18FN3S
Molecular Weight291.40 g/mol
Exact Mass291.12
IUPAC Name1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(N2CCc3ccc(F)cc32)nc1C
InChIInChI=1S/C15H18FN3S/c1-9(17-3)14-10(2)18-15(20-14)19-7-6-11-4-5-12(16)8-13(11)19/h4-5,8-9,17H,6-7H2,1-3H3
InChIKeyRYANHAQPKOHYCQ-UHFFFAOYSA-N
XLogP3.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 103503588) is 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1sc(N2CCc3ccc(F)cc32)nc1C.
What is the InChIKey of 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is RYANHAQPKOHYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-9(17-3)14-10(2)18-15(20-14)19-7-6-11-4-5-12(16)8-13(11)19/h4-5,8-9,17H,6-7H2,1-3H3.
What are the key properties of 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 291.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 103503588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).