1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea

C19H20N6O2S — CID 59922335

About 1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea

1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea (PubChem CID 59922335) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea.

Molecular Properties

• Compound Name: 1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
• PubChem CID: 59922335
• Molecular Formula: C19H20N6O2S
• Molecular Weight: 396.48 g/mol
• Exact Mass: 396.14
• IUPAC Name: 1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
• SMILES: O=C(Nc1cccc(CN2CCCOC2)n1)Nc1csc(-c2ccncc2)n1
• InChI: InChI=1S/C19H20N6O2S/c26-19(24-17-12-28-18(22-17)14-5-7-20-8-6-14)23-16-4-1-3-15(21-16)11-25-9-2-10-27-13-25/h1,3-8,12H,2,9-11,13H2,(H2,21,23,24,26)
• InChIKey: KBPZNUDNNRFARC-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.48
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?

The IUPAC name of 1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea (CID 59922335) is 1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea.

What is the SMILES notation for 1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?

The canonical SMILES for 1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea is O=C(Nc1cccc(CN2CCCOC2)n1)Nc1csc(-c2ccncc2)n1.

What is the InChIKey of 1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?

The InChIKey is KBPZNUDNNRFARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c26-19(24-17-12-28-18(22-17)14-5-7-20-8-6-14)23-16-4-1-3-15(21-16)11-25-9-2-10-27-13-25/h1,3-8,12H,2,9-11,13H2,(H2,21,23,24,26).

What are the key properties of 1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?

1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea has a molecular weight of 396.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea is sourced from PubChem (CID 59922335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).