1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea

C15H23N5O2S — CID 86792727

About 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea

1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea (PubChem CID 86792727) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea
• PubChem CID: 86792727
• Molecular Formula: C15H23N5O2S
• Molecular Weight: 337.45 g/mol
• Exact Mass: 337.16
• IUPAC Name: 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea
• SMILES: CCc1cnc(C(C)NC(=O)NCc2c(C)nn(C)c2OC)s1
• InChI: InChI=1S/C15H23N5O2S/c1-6-11-7-16-13(23-11)10(3)18-15(21)17-8-12-9(2)19-20(4)14(12)22-5/h7,10H,6,8H2,1-5H3,(H2,17,18,21)
• InChIKey: DWEVDNOVLURZGQ-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 81.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.45
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea?

The IUPAC name of 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea (CID 86792727) is 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea.

What is the SMILES notation for 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea?

The canonical SMILES for 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea is CCc1cnc(C(C)NC(=O)NCc2c(C)nn(C)c2OC)s1.

What is the InChIKey of 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea?

The InChIKey is DWEVDNOVLURZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-6-11-7-16-13(23-11)10(3)18-15(21)17-8-12-9(2)19-20(4)14(12)22-5/h7,10H,6,8H2,1-5H3,(H2,17,18,21).

What are the key properties of 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea?

1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea has a molecular weight of 337.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 86792727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).