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

C24H25FN4OS2 — CID 148616850

IUPAC2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine
SMILESCCN1CCC(c2cc3c(Nc4cc5ncsc5cc4F)ccnc3s2)C12CCOCC2
InChIInChI=1S/C24H25FN4OS2/c1-2-29-8-4-16(24(29)5-9-30-10-6-24)21-11-15-18(3-7-26-23(15)32-21)28-19-13-20-22(12-17(19)25)31-14-27-20/h3,7,11-14,16H,2,4-6,8-10H2,1H3,(H,26,28)
InChIKeyNFLQITATMBWEON-UHFFFAOYSA-N
MW468.62 g/mol
LogP6.15
Rot. Bonds4

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

2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine (PubChem CID 148616850) has the molecular formula C24H25FN4OS2 and a molecular weight of 468.62 g/mol. Its IUPAC name is 2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine
PubChem CID148616850
Molecular FormulaC24H25FN4OS2
Molecular Weight468.62 g/mol
Exact Mass468.15
IUPAC Name2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine
SMILESCCN1CCC(c2cc3c(Nc4cc5ncsc5cc4F)ccnc3s2)C12CCOCC2
InChIInChI=1S/C24H25FN4OS2/c1-2-29-8-4-16(24(29)5-9-30-10-6-24)21-11-15-18(3-7-26-23(15)32-21)28-19-13-20-22(12-17(19)25)31-14-27-20/h3,7,11-14,16H,2,4-6,8-10H2,1H3,(H,26,28)
InChIKeyNFLQITATMBWEON-UHFFFAOYSA-N
XLogP6.15
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.62
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine?
The IUPAC name of 2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine (CID 148616850) is 2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for 2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine?
The canonical SMILES for 2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine is CCN1CCC(c2cc3c(Nc4cc5ncsc5cc4F)ccnc3s2)C12CCOCC2.
What is the InChIKey of 2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine?
The InChIKey is NFLQITATMBWEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4OS2/c1-2-29-8-4-16(24(29)5-9-30-10-6-24)21-11-15-18(3-7-26-23(15)32-21)28-19-13-20-22(12-17(19)25)31-14-27-20/h3,7,11-14,16H,2,4-6,8-10H2,1H3,(H,26,28).
What are the key properties of 2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine?
2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine has a molecular weight of 468.62 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-8-oxa-1-azaspiro[4.5]decan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 148616850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).