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

C20H19FN4S2 — CID 149202058

IUPACN-(1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine
SMILESCC1NCCCC1c1cc2c(Nc3ccc4scnc4c3)c(F)cnc2s1
InChIInChI=1S/C20H19FN4S2/c1-11-13(3-2-6-22-11)18-8-14-19(15(21)9-23-20(14)27-18)25-12-4-5-17-16(7-12)24-10-26-17/h4-5,7-11,13,22H,2-3,6H2,1H3,(H,23,25)
InChIKeyXEWSAVFOVWMURB-UHFFFAOYSA-N
MW398.53 g/mol
LogP5.64
Rot. Bonds3

About N-(1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[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 (PubChem CID 149202058) has the molecular formula C20H19FN4S2 and a molecular weight of 398.53 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine
PubChem CID149202058
Molecular FormulaC20H19FN4S2
Molecular Weight398.53 g/mol
Exact Mass398.10
IUPAC NameN-(1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine
SMILESCC1NCCCC1c1cc2c(Nc3ccc4scnc4c3)c(F)cnc2s1
InChIInChI=1S/C20H19FN4S2/c1-11-13(3-2-6-22-11)18-8-14-19(15(21)9-23-20(14)27-18)25-12-4-5-17-16(7-12)24-10-26-17/h4-5,7-11,13,22H,2-3,6H2,1H3,(H,23,25)
InChIKeyXEWSAVFOVWMURB-UHFFFAOYSA-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

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Related Compounds

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
5-fluoro-N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine
CID 148950347
N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
CID 151912469
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-[(2S,3R)-2-methylazepan-3-yl]thieno[2,3-b]pyridin-4-amine
CID 149203346
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
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
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-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-fluoropropyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
CID 149006841
N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-ethyl-2-methylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine
CID 147630917
N-(1,3-benzothiazol-5-yl)-2-(2-methyl-1-pentylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine
CID 158060573

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine (CID 149202058) is N-(1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine is CC1NCCCC1c1cc2c(Nc3ccc4scnc4c3)c(F)cnc2s1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine?
The InChIKey is XEWSAVFOVWMURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4S2/c1-11-13(3-2-6-22-11)18-8-14-19(15(21)9-23-20(14)27-18)25-12-4-5-17-16(7-12)24-10-26-17/h4-5,7-11,13,22H,2-3,6H2,1H3,(H,23,25).
What are the key properties of N-(1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[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 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-(1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 149202058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).