N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-(furan-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

C26H28N4O2S — CID 59128922

About N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-(furan-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-(furan-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 59128922) has the molecular formula C26H28N4O2S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-(furan-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-(furan-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• PubChem CID: 59128922
• Molecular Formula: C26H28N4O2S
• Molecular Weight: 460.60 g/mol
• Exact Mass: 460.19
• IUPAC Name: N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-(furan-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• SMILES: CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc2c(s1)CN(Cc1ccco1)CC2
• InChI: InChI=1S/C26H28N4O2S/c1-26(2,3)19-9-4-5-11-22(19)32-24-21(10-6-13-27-24)29-25-28-20-12-14-30(17-23(20)33-25)16-18-8-7-15-31-18/h4-11,13,15H,12,14,16-17H2,1-3H3,(H,28,29)
• InChIKey: XKCSCBDSTBZGOA-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 63.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.60
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-(furan-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?

The IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-(furan-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 59128922) is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-(furan-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.

What is the SMILES notation for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-(furan-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?

The canonical SMILES for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-(furan-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc2c(s1)CN(Cc1ccco1)CC2.

What is the InChIKey of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-(furan-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?

The InChIKey is XKCSCBDSTBZGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S/c1-26(2,3)19-9-4-5-11-22(19)32-24-21(10-6-13-27-24)29-25-28-20-12-14-30(17-23(20)33-25)16-18-8-7-15-31-18/h4-11,13,15H,12,14,16-17H2,1-3H3,(H,28,29).

What are the key properties of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-(furan-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-(furan-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 460.60 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-(furan-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 59128922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).