N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine

C20H19FN4S2 — CID 147856451

IUPACN-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
SMILESC[C@H]1NCCC[C@@H]1c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1
InChIInChI=1S/C20H19FN4S2/c1-11-12(3-2-5-22-11)18-7-13-15(4-6-23-20(13)27-18)25-16-9-17-19(8-14(16)21)26-10-24-17/h4,6-12,22H,2-3,5H2,1H3,(H,23,25)/t11-,12+/m1/s1
InChIKeyHVVHKKCTFZYGDX-NEPJUHHUSA-N
MW398.53 g/mol
LogP5.64
Rot. Bonds3

About N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine

N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine (PubChem CID 147856451) has the molecular formula C20H19FN4S2 and a molecular weight of 398.53 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
PubChem CID147856451
Molecular FormulaC20H19FN4S2
Molecular Weight398.53 g/mol
Exact Mass398.10
IUPAC NameN-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
SMILESC[C@H]1NCCC[C@@H]1c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1
InChIInChI=1S/C20H19FN4S2/c1-11-12(3-2-5-22-11)18-7-13-15(4-6-23-20(13)27-18)25-16-9-17-19(8-14(16)21)26-10-24-17/h4,6-12,22H,2-3,5H2,1H3,(H,23,25)/t11-,12+/m1/s1
InChIKeyHVVHKKCTFZYGDX-NEPJUHHUSA-N
XLogP5.64
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.53
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine (CID 147856451) is N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine is C[C@H]1NCCC[C@@H]1c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine?
The InChIKey is HVVHKKCTFZYGDX-NEPJUHHUSA-N. The full InChI is InChI=1S/C20H19FN4S2/c1-11-12(3-2-5-22-11)18-7-13-15(4-6-23-20(13)27-18)25-16-9-17-19(8-14(16)21)26-10-24-17/h4,6-12,22H,2-3,5H2,1H3,(H,23,25)/t11-,12+/m1/s1.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine?
N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine has a molecular weight of 398.53 g/mol, XLogP of 5.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 147856451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).