1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea

C17H21N3O2S — CID 111508037

About 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea

1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 111508037) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

• Compound Name: 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
• PubChem CID: 111508037
• Molecular Formula: C17H21N3O2S
• Molecular Weight: 331.44 g/mol
• Exact Mass: 331.14
• IUPAC Name: 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
• SMILES: Cc1cnc(C(NC(=O)NC(CO)c2ccccc2)C2CC2)s1
• InChI: InChI=1S/C17H21N3O2S/c1-11-9-18-16(23-11)15(13-7-8-13)20-17(22)19-14(10-21)12-5-3-2-4-6-12/h2-6,9,13-15,21H,7-8,10H2,1H3,(H2,19,20,22)
• InChIKey: GBYFDGAOOGEKAL-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 74.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.44
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea?

The IUPAC name of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea (CID 111508037) is 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea.

What is the SMILES notation for 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea?

The canonical SMILES for 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea is Cc1cnc(C(NC(=O)NC(CO)c2ccccc2)C2CC2)s1.

What is the InChIKey of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea?

The InChIKey is GBYFDGAOOGEKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11-9-18-16(23-11)15(13-7-8-13)20-17(22)19-14(10-21)12-5-3-2-4-6-12/h2-6,9,13-15,21H,7-8,10H2,1H3,(H2,19,20,22).

What are the key properties of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea?

1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea has a molecular weight of 331.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 111508037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).