1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea

C23H27N5O2S — CID 59922332

About 1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea

1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea (PubChem CID 59922332) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea
• PubChem CID: 59922332
• Molecular Formula: C23H27N5O2S
• Molecular Weight: 437.57 g/mol
• Exact Mass: 437.19
• IUPAC Name: 1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea
• SMILES: COc1cc(C)ccc1-c1nc(NC(=O)Nc2cccc(CN3CCCCC3)n2)cs1
• InChI: InChI=1S/C23H27N5O2S/c1-16-9-10-18(19(13-16)30-2)22-25-21(15-31-22)27-23(29)26-20-8-6-7-17(24-20)14-28-11-4-3-5-12-28/h6-10,13,15H,3-5,11-12,14H2,1-2H3,(H2,24,26,27,29)
• InChIKey: KUSSTQMVMPSMSY-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 79.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.57
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea (CID 59922332) is 1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea.

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

The canonical SMILES for 1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea is COc1cc(C)ccc1-c1nc(NC(=O)Nc2cccc(CN3CCCCC3)n2)cs1.

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

The InChIKey is KUSSTQMVMPSMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-16-9-10-18(19(13-16)30-2)22-25-21(15-31-22)27-23(29)26-20-8-6-7-17(24-20)14-28-11-4-3-5-12-28/h6-10,13,15H,3-5,11-12,14H2,1-2H3,(H2,24,26,27,29).

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

1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea has a molecular weight of 437.57 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea is sourced from PubChem (CID 59922332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).