1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea

C18H19N5O2S — CID 72596573

About 1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea

1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea (PubChem CID 72596573) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea.

Molecular Properties

• Compound Name: 1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea
• PubChem CID: 72596573
• Molecular Formula: C18H19N5O2S
• Molecular Weight: 369.45 g/mol
• Exact Mass: 369.13
• IUPAC Name: 1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea
• SMILES: CC(C)(C)c1cnc(C=Cc2cnc(NC(=O)Nc3ccccn3)s2)o1
• InChI: InChI=1S/C18H19N5O2S/c1-18(2,3)13-11-20-15(25-13)8-7-12-10-21-17(26-12)23-16(24)22-14-6-4-5-9-19-14/h4-11H,1-3H3,(H2,19,21,22,23,24)
• InChIKey: XOZBLBNLHPNJEC-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 92.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.45
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea?

The IUPAC name of 1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea (CID 72596573) is 1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea.

What is the SMILES notation for 1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea?

The canonical SMILES for 1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea is CC(C)(C)c1cnc(C=Cc2cnc(NC(=O)Nc3ccccn3)s2)o1.

What is the InChIKey of 1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea?

The InChIKey is XOZBLBNLHPNJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-18(2,3)13-11-20-15(25-13)8-7-12-10-21-17(26-12)23-16(24)22-14-6-4-5-9-19-14/h4-11H,1-3H3,(H2,19,21,22,23,24).

What are the key properties of 1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea?

1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea has a molecular weight of 369.45 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea is sourced from PubChem (CID 72596573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).