1-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]-3-(pyrazin-2-ylmethyl)urea

C19H21N5O2S — CID 171407589

About 1-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]-3-(pyrazin-2-ylmethyl)urea

1-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]-3-(pyrazin-2-ylmethyl)urea (PubChem CID 171407589) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 1-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]-3-(pyrazin-2-ylmethyl)urea.

Molecular Properties

• Compound Name: 1-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]-3-(pyrazin-2-ylmethyl)urea
• PubChem CID: 171407589
• Molecular Formula: C19H21N5O2S
• Molecular Weight: 383.48 g/mol
• Exact Mass: 383.14
• IUPAC Name: 1-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]-3-(pyrazin-2-ylmethyl)urea
• SMILES: COc1ccc(C(C)(C)c2csc(NC(=O)NCc3cnccn3)n2)cc1
• InChI: InChI=1S/C19H21N5O2S/c1-19(2,13-4-6-15(26-3)7-5-13)16-12-27-18(23-16)24-17(25)22-11-14-10-20-8-9-21-14/h4-10,12H,11H2,1-3H3,(H2,22,23,24,25)
• InChIKey: KBUSYBCCVGNNBN-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 89.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.48
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]-3-(pyrazin-2-ylmethyl)urea?

The IUPAC name of 1-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]-3-(pyrazin-2-ylmethyl)urea (CID 171407589) is 1-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]-3-(pyrazin-2-ylmethyl)urea.

What is the SMILES notation for 1-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]-3-(pyrazin-2-ylmethyl)urea?

The canonical SMILES for 1-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]-3-(pyrazin-2-ylmethyl)urea is COc1ccc(C(C)(C)c2csc(NC(=O)NCc3cnccn3)n2)cc1.

What is the InChIKey of 1-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]-3-(pyrazin-2-ylmethyl)urea?

The InChIKey is KBUSYBCCVGNNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-19(2,13-4-6-15(26-3)7-5-13)16-12-27-18(23-16)24-17(25)22-11-14-10-20-8-9-21-14/h4-10,12H,11H2,1-3H3,(H2,22,23,24,25).

What are the key properties of 1-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]-3-(pyrazin-2-ylmethyl)urea?

1-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]-3-(pyrazin-2-ylmethyl)urea has a molecular weight of 383.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]-3-(pyrazin-2-ylmethyl)urea is sourced from PubChem (CID 171407589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).