6-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-2-amine

C14H16FN3S — CID 79143804

IUPAC6-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NC3CCN4CCCC34)sc2c1
InChIInChI=1S/C14H16FN3S/c15-9-3-4-11-13(8-9)19-14(17-11)16-10-5-7-18-6-1-2-12(10)18/h3-4,8,10,12H,1-2,5-7H2,(H,16,17)
InChIKeyFPYVUCJCPSKGIT-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.08
Rot. Bonds2

About 6-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-2-amine

6-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-2-amine (PubChem CID 79143804) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-2-amine
PubChem CID79143804
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name6-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NC3CCN4CCCC34)sc2c1
InChIInChI=1S/C14H16FN3S/c15-9-3-4-11-13(8-9)19-14(17-11)16-10-5-7-18-6-1-2-12(10)18/h3-4,8,10,12H,1-2,5-7H2,(H,16,17)
InChIKeyFPYVUCJCPSKGIT-UHFFFAOYSA-N
XLogP3.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-2-amine (CID 79143804) is 6-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-2-amine is Fc1ccc2nc(NC3CCN4CCCC34)sc2c1.
What is the InChIKey of 6-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-2-amine?
The InChIKey is FPYVUCJCPSKGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c15-9-3-4-11-13(8-9)19-14(17-11)16-10-5-7-18-6-1-2-12(10)18/h3-4,8,10,12H,1-2,5-7H2,(H,16,17).
What are the key properties of 6-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-2-amine?
6-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-2-amine has a molecular weight of 277.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79143804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).