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

C20H18F2N4S2 — CID 148950347

IUPAC5-fluoro-N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine
SMILESCC1NCCCC1c1cc2c(Nc3cc4ncsc4cc3F)c(F)cnc2s1
InChIInChI=1S/C20H18F2N4S2/c1-10-11(3-2-4-23-10)17-5-12-19(14(22)8-24-20(12)28-17)26-15-7-16-18(6-13(15)21)27-9-25-16/h5-11,23H,2-4H2,1H3,(H,24,26)
InChIKeyPPVDLUMGUJIWAG-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.78
Rot. Bonds3

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

5-fluoro-N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine (PubChem CID 148950347) has the molecular formula C20H18F2N4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 5-fluoro-N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine
PubChem CID148950347
Molecular FormulaC20H18F2N4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name5-fluoro-N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine
SMILESCC1NCCCC1c1cc2c(Nc3cc4ncsc4cc3F)c(F)cnc2s1
InChIInChI=1S/C20H18F2N4S2/c1-10-11(3-2-4-23-10)17-5-12-19(14(22)8-24-20(12)28-17)26-15-7-16-18(6-13(15)21)27-9-25-16/h5-11,23H,2-4H2,1H3,(H,24,26)
InChIKeyPPVDLUMGUJIWAG-UHFFFAOYSA-N
XLogP5.78
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
CID 147856453
N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(2R,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
CID 147856451
N-(1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine
CID 149202058
2-[(2R,3S)-1,2-dimethylpiperidin-3-yl]-5-fluoro-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine
CID 147824692
5-fluoro-N-(4-fluoro-1,3-benzothiazol-5-yl)-2-[(2S,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
CID 148986920
N-(1,3-benzothiazol-5-yl)-2-(1,2-dimethylpiperidin-3-yl)-5-fluorothieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine
CID 159659130
N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
CID 151912469
N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-2-methylazepan-3-yl]thieno[2,3-b]pyridin-4-amine
CID 149203346
2-[(2R,3R)-3-[4-[(6-fluoro-1,3-benzothiazol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-2-methylpyrrolidin-1-yl]ethanol
CID 147038746
2-[(3R)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine
CID 148925756
N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
CID 147157096
N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(1-methyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(4R,5R)-1-methyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(4R,5S)-1-methyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(4S,5S)-1-methyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(4R)-8-oxa-1-azaspiro[4.5]decan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-[(4S)-8-oxa-1-azaspiro[4.5]decan-4-yl]thieno[2,3-b]pyridin-4-amine
CID 159705717

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine?
The IUPAC name of 5-fluoro-N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine (CID 148950347) is 5-fluoro-N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for 5-fluoro-N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine?
The canonical SMILES for 5-fluoro-N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine is CC1NCCCC1c1cc2c(Nc3cc4ncsc4cc3F)c(F)cnc2s1.
What is the InChIKey of 5-fluoro-N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine?
The InChIKey is PPVDLUMGUJIWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4S2/c1-10-11(3-2-4-23-10)17-5-12-19(14(22)8-24-20(12)28-17)26-15-7-16-18(6-13(15)21)27-9-25-16/h5-11,23H,2-4H2,1H3,(H,24,26).
What are the key properties of 5-fluoro-N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine?
5-fluoro-N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine has a molecular weight of 416.52 g/mol, XLogP of 5.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 148950347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).