5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine

C23H25FN4OS — CID 71479429

IUPAC5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2cnc(Nc3cccc(CC4COC5(CCNCC5)C4)n3)s2)cc1
InChIInChI=1S/C23H25FN4OS/c24-18-6-4-17(5-7-18)20-14-26-22(30-20)28-21-3-1-2-19(27-21)12-16-13-23(29-15-16)8-10-25-11-9-23/h1-7,14,16,25H,8-13,15H2,(H,26,27,28)
InChIKeyIQTVESPECPPXJJ-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.79
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine

5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 71479429) has the molecular formula C23H25FN4OS and a molecular weight of 424.55 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID71479429
Molecular FormulaC23H25FN4OS
Molecular Weight424.55 g/mol
Exact Mass424.17
IUPAC Name5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2cnc(Nc3cccc(CC4COC5(CCNCC5)C4)n3)s2)cc1
InChIInChI=1S/C23H25FN4OS/c24-18-6-4-17(5-7-18)20-14-26-22(30-20)28-21-3-1-2-19(27-21)12-16-13-23(29-15-16)8-10-25-11-9-23/h1-7,14,16,25H,8-13,15H2,(H,26,27,28)
InChIKeyIQTVESPECPPXJJ-UHFFFAOYSA-N
XLogP4.79
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 71479429) is 5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine is Fc1ccc(-c2cnc(Nc3cccc(CC4COC5(CCNCC5)C4)n3)s2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is IQTVESPECPPXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4OS/c24-18-6-4-17(5-7-18)20-14-26-22(30-20)28-21-3-1-2-19(27-21)12-16-13-23(29-15-16)8-10-25-11-9-23/h1-7,14,16,25H,8-13,15H2,(H,26,27,28).
What are the key properties of 5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 424.55 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 71479429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).