(E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine

C20H23FN6S — CID 166475099

About (E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine

(E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine (PubChem CID 166475099) has the molecular formula C20H23FN6S and a molecular weight of 398.51 g/mol. Its IUPAC name is (E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine.

Molecular Properties

• Compound Name: (E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine
• PubChem CID: 166475099
• Molecular Formula: C20H23FN6S
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.17
• IUPAC Name: (E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine
• SMILES: C=C1c2sc(-c3ccc(N4CCC(F)C4)nc3)nc2CCN1C(/C=N/C)=C/N
• InChI: InChI=1S/C20H23FN6S/c1-13-19-17(6-8-27(13)16(9-22)11-23-2)25-20(28-19)14-3-4-18(24-10-14)26-7-5-15(21)12-26/h3-4,9-11,15H,1,5-8,12,22H2,2H3/b16-9+,23-11+
• InChIKey: NRFDFBUKFLFZDD-CSPWUFIUSA-N
• XLogP: 3.08
• TPSA: 70.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine?

The IUPAC name of (E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine (CID 166475099) is (E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine.

What is the SMILES notation for (E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine?

The canonical SMILES for (E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine is C=C1c2sc(-c3ccc(N4CCC(F)C4)nc3)nc2CCN1C(/C=N/C)=C/N.

What is the InChIKey of (E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine?

The InChIKey is NRFDFBUKFLFZDD-CSPWUFIUSA-N. The full InChI is InChI=1S/C20H23FN6S/c1-13-19-17(6-8-27(13)16(9-22)11-23-2)25-20(28-19)14-3-4-18(24-10-14)26-7-5-15(21)12-26/h3-4,9-11,15H,1,5-8,12,22H2,2H3/b16-9+,23-11+.

What are the key properties of (E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine?

(E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine has a molecular weight of 398.51 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 166475099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).