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

C18H19N3O2S2 — CID 90546957

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

1-[(4-methoxyphenyl)methyl]-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 90546957) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[(4-methoxyphenyl)methyl]-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
• PubChem CID: 90546957
• Molecular Formula: C18H19N3O2S2
• Molecular Weight: 373.50 g/mol
• Exact Mass: 373.09
• IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
• SMILES: COc1ccc(CNC(=O)NCc2sc(-c3cccs3)nc2C)cc1
• InChI: InChI=1S/C18H19N3O2S2/c1-12-16(25-17(21-12)15-4-3-9-24-15)11-20-18(22)19-10-13-5-7-14(23-2)8-6-13/h3-9H,10-11H2,1-2H3,(H2,19,20,22)
• InChIKey: IGCMARMCBAXKHM-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.50
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea (CID 90546957) is 1-[(4-methoxyphenyl)methyl]-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea.

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

The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea is COc1ccc(CNC(=O)NCc2sc(-c3cccs3)nc2C)cc1.

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

The InChIKey is IGCMARMCBAXKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-12-16(25-17(21-12)15-4-3-9-24-15)11-20-18(22)19-10-13-5-7-14(23-2)8-6-13/h3-9H,10-11H2,1-2H3,(H2,19,20,22).

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

1-[(4-methoxyphenyl)methyl]-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 373.50 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-methoxyphenyl)methyl]-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 90546957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).