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

C19H23N5O2S — CID 71802122

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

1-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 71802122) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

• Compound Name: 1-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-[(4-methoxyphenyl)methyl]urea
• PubChem CID: 71802122
• Molecular Formula: C19H23N5O2S
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.16
• IUPAC Name: 1-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-[(4-methoxyphenyl)methyl]urea
• SMILES: COc1ccc(CNC(=O)NCCc2csc(-n3nc(C)cc3C)n2)cc1
• InChI: InChI=1S/C19H23N5O2S/c1-13-10-14(2)24(23-13)19-22-16(12-27-19)8-9-20-18(25)21-11-15-4-6-17(26-3)7-5-15/h4-7,10,12H,8-9,11H2,1-3H3,(H2,20,21,25)
• InChIKey: SFMKUXJYQLGJMX-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 81.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-[(4-methoxyphenyl)methyl]urea (CID 71802122) is 1-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-[(4-methoxyphenyl)methyl]urea.

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

The canonical SMILES for 1-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)NCCc2csc(-n3nc(C)cc3C)n2)cc1.

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

The InChIKey is SFMKUXJYQLGJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-13-10-14(2)24(23-13)19-22-16(12-27-19)8-9-20-18(25)21-11-15-4-6-17(26-3)7-5-15/h4-7,10,12H,8-9,11H2,1-3H3,(H2,20,21,25).

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

1-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 385.49 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 71802122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).