methane;1-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea

C24H26N8OS — CID 159301602

About methane;1-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea

methane;1-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea (PubChem CID 159301602) has the molecular formula C24H26N8OS and a molecular weight of 474.59 g/mol. Its IUPAC name is methane;1-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea.

Molecular Properties

• Compound Name: methane;1-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
• PubChem CID: 159301602
• Molecular Formula: C24H26N8OS
• Molecular Weight: 474.59 g/mol
• Exact Mass: 474.20
• IUPAC Name: methane;1-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
• SMILES: C.O=C(Nc1cccc(N2CCN(c3ccccn3)CC2)n1)Nc1csc(-c2ccncc2)n1
• InChI: InChI=1S/C23H22N8OS.CH4/c32-23(29-19-16-33-22(27-19)17-7-10-24-11-8-17)28-18-4-3-6-21(26-18)31-14-12-30(13-15-31)20-5-1-2-9-25-20;/h1-11,16H,12-15H2,(H2,26,28,29,32);1H4
• InChIKey: LBKFCCKICPIJGM-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 99.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.59
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of methane;1-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea (CID 159301602) is methane;1-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea.

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

The canonical SMILES for methane;1-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea is C.O=C(Nc1cccc(N2CCN(c3ccccn3)CC2)n1)Nc1csc(-c2ccncc2)n1.

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

The InChIKey is LBKFCCKICPIJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8OS.CH4/c32-23(29-19-16-33-22(27-19)17-7-10-24-11-8-17)28-18-4-3-6-21(26-18)31-14-12-30(13-15-31)20-5-1-2-9-25-20;/h1-11,16H,12-15H2,(H2,26,28,29,32);1H4.

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

methane;1-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea has a molecular weight of 474.59 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methane;1-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea is sourced from PubChem (CID 159301602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).