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

C24H24F2N4OS2 — CID 147292930

IUPACN-[2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine
SMILESCCN1CCC(c2cc3c(Nc4c(F)cc5scnc5c4F)ccnc3s2)C12CCOCC2
InChIInChI=1S/C24H24F2N4OS2/c1-2-30-8-4-15(24(30)5-9-31-10-6-24)18-11-14-17(3-7-27-23(14)33-18)29-21-16(25)12-19-22(20(21)26)28-13-32-19/h3,7,11-13,15H,2,4-6,8-10H2,1H3,(H,27,29)
InChIKeyCUOBFVROQBECFT-UHFFFAOYSA-N
MW486.61 g/mol
LogP6.29
Rot. Bonds4

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

N-[2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine (PubChem CID 147292930) has the molecular formula C24H24F2N4OS2 and a molecular weight of 486.61 g/mol. Its IUPAC name is N-[2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine
PubChem CID147292930
Molecular FormulaC24H24F2N4OS2
Molecular Weight486.61 g/mol
Exact Mass486.14
IUPAC NameN-[2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine
SMILESCCN1CCC(c2cc3c(Nc4c(F)cc5scnc5c4F)ccnc3s2)C12CCOCC2
InChIInChI=1S/C24H24F2N4OS2/c1-2-30-8-4-15(24(30)5-9-31-10-6-24)18-11-14-17(3-7-27-23(14)33-18)29-21-16(25)12-19-22(20(21)26)28-13-32-19/h3,7,11-13,15H,2,4-6,8-10H2,1H3,(H,27,29)
InChIKeyCUOBFVROQBECFT-UHFFFAOYSA-N
XLogP6.29
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine?
The IUPAC name of N-[2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine (CID 147292930) is N-[2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-[2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine?
The canonical SMILES for N-[2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine is CCN1CCC(c2cc3c(Nc4c(F)cc5scnc5c4F)ccnc3s2)C12CCOCC2.
What is the InChIKey of N-[2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine?
The InChIKey is CUOBFVROQBECFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4OS2/c1-2-30-8-4-15(24(30)5-9-31-10-6-24)18-11-14-17(3-7-27-23(14)33-18)29-21-16(25)12-19-22(20(21)26)28-13-32-19/h3,7,11-13,15H,2,4-6,8-10H2,1H3,(H,27,29).
What are the key properties of N-[2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine?
N-[2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine has a molecular weight of 486.61 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)thieno[2,3-b]pyridin-4-yl]-4,6-difluoro-1,3-benzothiazol-5-amine is sourced from PubChem (CID 147292930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).