N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine

C23H24N4OS2 — CID 147215309

IUPACN-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine
SMILESCOCCN1CCC=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1C
InChIInChI=1S/C23H24N4OS2/c1-15-17(4-3-9-27(15)10-11-28-2)22-13-18-19(7-8-24-23(18)30-22)26-16-5-6-21-20(12-16)25-14-29-21/h4-8,12-15H,3,9-11H2,1-2H3,(H,24,26)
InChIKeyCFZPZCZTPLUELG-UHFFFAOYSA-N
MW436.61 g/mol
LogP5.77
Rot. Bonds6

About N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine

N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine (PubChem CID 147215309) has the molecular formula C23H24N4OS2 and a molecular weight of 436.61 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine
PubChem CID147215309
Molecular FormulaC23H24N4OS2
Molecular Weight436.61 g/mol
Exact Mass436.14
IUPAC NameN-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine
SMILESCOCCN1CCC=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1C
InChIInChI=1S/C23H24N4OS2/c1-15-17(4-3-9-27(15)10-11-28-2)22-13-18-19(7-8-24-23(18)30-22)26-16-5-6-21-20(12-16)25-14-29-21/h4-8,12-15H,3,9-11H2,1-2H3,(H,24,26)
InChIKeyCFZPZCZTPLUELG-UHFFFAOYSA-N
XLogP5.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.61
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine (CID 147215309) is N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine is COCCN1CCC=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1C.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine?
The InChIKey is CFZPZCZTPLUELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS2/c1-15-17(4-3-9-27(15)10-11-28-2)22-13-18-19(7-8-24-23(18)30-22)26-16-5-6-21-20(12-16)25-14-29-21/h4-8,12-15H,3,9-11H2,1-2H3,(H,24,26).
What are the key properties of N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine?
N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine has a molecular weight of 436.61 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 147215309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).