3-[1-(1H-imidazol-5-yl)-3-methoxybutan-2-yl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea

C17H27N5O2S — CID 145463080

About 3-[1-(1H-imidazol-5-yl)-3-methoxybutan-2-yl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea

3-[1-(1H-imidazol-5-yl)-3-methoxybutan-2-yl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 145463080) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 g/mol. Its IUPAC name is 3-[1-(1H-imidazol-5-yl)-3-methoxybutan-2-yl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

• Compound Name: 3-[1-(1H-imidazol-5-yl)-3-methoxybutan-2-yl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
• PubChem CID: 145463080
• Molecular Formula: C17H27N5O2S
• Molecular Weight: 365.50 g/mol
• Exact Mass: 365.19
• IUPAC Name: 3-[1-(1H-imidazol-5-yl)-3-methoxybutan-2-yl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
• SMILES: COC(C)C(Cc1cnc[nH]1)NC(=O)N(C)Cc1csc(C(C)C)n1
• InChI: InChI=1S/C17H27N5O2S/c1-11(2)16-20-14(9-25-16)8-22(4)17(23)21-15(12(3)24-5)6-13-7-18-10-19-13/h7,9-12,15H,6,8H2,1-5H3,(H,18,19)(H,21,23)
• InChIKey: XNJZEIFVAQNPBJ-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.50
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-imidazol-5-yl)-3-methoxybutan-2-yl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea?

The IUPAC name of 3-[1-(1H-imidazol-5-yl)-3-methoxybutan-2-yl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea (CID 145463080) is 3-[1-(1H-imidazol-5-yl)-3-methoxybutan-2-yl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea.

What is the SMILES notation for 3-[1-(1H-imidazol-5-yl)-3-methoxybutan-2-yl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea?

The canonical SMILES for 3-[1-(1H-imidazol-5-yl)-3-methoxybutan-2-yl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea is COC(C)C(Cc1cnc[nH]1)NC(=O)N(C)Cc1csc(C(C)C)n1.

What is the InChIKey of 3-[1-(1H-imidazol-5-yl)-3-methoxybutan-2-yl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea?

The InChIKey is XNJZEIFVAQNPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2S/c1-11(2)16-20-14(9-25-16)8-22(4)17(23)21-15(12(3)24-5)6-13-7-18-10-19-13/h7,9-12,15H,6,8H2,1-5H3,(H,18,19)(H,21,23).

What are the key properties of 3-[1-(1H-imidazol-5-yl)-3-methoxybutan-2-yl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea?

3-[1-(1H-imidazol-5-yl)-3-methoxybutan-2-yl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 365.50 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(1H-imidazol-5-yl)-3-methoxybutan-2-yl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 145463080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).