N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(1-methyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-amine

C23H23FN4OS2 — CID 147319995

IUPACN-(6-fluoro-1,3-benzothiazol-5-yl)-2-(1-methyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-amine
SMILESCN1CCC(c2cc3c(Nc4cc5ncsc5cc4F)ccnc3s2)C12CCOCC2
InChIInChI=1S/C23H23FN4OS2/c1-28-7-3-15(23(28)4-8-29-9-5-23)20-10-14-17(2-6-25-22(14)31-20)27-18-12-19-21(11-16(18)24)30-13-26-19/h2,6,10-13,15H,3-5,7-9H2,1H3,(H,25,27)
InChIKeyCZPOFFGVJTZQFY-UHFFFAOYSA-N
MW454.60 g/mol
LogP5.76
Rot. Bonds3

About N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(1-methyl-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-(1-methyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-amine (PubChem CID 147319995) has the molecular formula C23H23FN4OS2 and a molecular weight of 454.60 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(1-methyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-5-yl)-2-(1-methyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-amine
PubChem CID147319995
Molecular FormulaC23H23FN4OS2
Molecular Weight454.60 g/mol
Exact Mass454.13
IUPAC NameN-(6-fluoro-1,3-benzothiazol-5-yl)-2-(1-methyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-amine
SMILESCN1CCC(c2cc3c(Nc4cc5ncsc5cc4F)ccnc3s2)C12CCOCC2
InChIInChI=1S/C23H23FN4OS2/c1-28-7-3-15(23(28)4-8-29-9-5-23)20-10-14-17(2-6-25-22(14)31-20)27-18-12-19-21(11-16(18)24)30-13-26-19/h2,6,10-13,15H,3-5,7-9H2,1H3,(H,25,27)
InChIKeyCZPOFFGVJTZQFY-UHFFFAOYSA-N
XLogP5.76
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.60
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(1-methyl-8-oxa-1-azaspiro[4.5]decan-4-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-(1-methyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-amine?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(1-methyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-amine (CID 147319995) is N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(1-methyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(1-methyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(1-methyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-amine is CN1CCC(c2cc3c(Nc4cc5ncsc5cc4F)ccnc3s2)C12CCOCC2.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(1-methyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-amine?
The InChIKey is CZPOFFGVJTZQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4OS2/c1-28-7-3-15(23(28)4-8-29-9-5-23)20-10-14-17(2-6-25-22(14)31-20)27-18-12-19-21(11-16(18)24)30-13-26-19/h2,6,10-13,15H,3-5,7-9H2,1H3,(H,25,27).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(1-methyl-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-(1-methyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-amine has a molecular weight of 454.60 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(1-methyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 147319995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).