2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]ethanamine

C14H18FN3S — CID 86184183

IUPAC2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(c2nsc3cc(F)ccc23)CC1
InChIInChI=1S/C14H18FN3S/c15-11-1-2-12-13(9-11)19-17-14(12)10-3-6-18(7-4-10)8-5-16/h1-2,9-10H,3-8,16H2
InChIKeyLCCIVVYYMSUCPL-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.57
Rot. Bonds3

About 2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]ethanamine

2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]ethanamine (PubChem CID 86184183) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]ethanamine
PubChem CID86184183
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC Name2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(c2nsc3cc(F)ccc23)CC1
InChIInChI=1S/C14H18FN3S/c15-11-1-2-12-13(9-11)19-17-14(12)10-3-6-18(7-4-10)8-5-16/h1-2,9-10H,3-8,16H2
InChIKeyLCCIVVYYMSUCPL-UHFFFAOYSA-N
XLogP2.57
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]ethanamine (CID 86184183) is 2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]ethanamine is NCCN1CCC(c2nsc3cc(F)ccc23)CC1.
What is the InChIKey of 2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]ethanamine?
The InChIKey is LCCIVVYYMSUCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c15-11-1-2-12-13(9-11)19-17-14(12)10-3-6-18(7-4-10)8-5-16/h1-2,9-10H,3-8,16H2.
What are the key properties of 2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]ethanamine?
2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 86184183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).