1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea

C16H19N3O2S — CID 111507774

About 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 111507774) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
• PubChem CID: 111507774
• Molecular Formula: C16H19N3O2S
• Molecular Weight: 317.41 g/mol
• Exact Mass: 317.12
• IUPAC Name: 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
• SMILES: Cc1cnc(CCNC(=O)NC2c3ccccc3CC2O)s1
• InChI: InChI=1S/C16H19N3O2S/c1-10-9-18-14(22-10)6-7-17-16(21)19-15-12-5-3-2-4-11(12)8-13(15)20/h2-5,9,13,15,20H,6-8H2,1H3,(H2,17,19,21)
• InChIKey: HNWHRAPGWYBUBP-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 74.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.41
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?

The IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 111507774) is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.

What is the SMILES notation for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?

The canonical SMILES for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1cnc(CCNC(=O)NC2c3ccccc3CC2O)s1.

What is the InChIKey of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?

The InChIKey is HNWHRAPGWYBUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10-9-18-14(22-10)6-7-17-16(21)19-15-12-5-3-2-4-11(12)8-13(15)20/h2-5,9,13,15,20H,6-8H2,1H3,(H2,17,19,21).

What are the key properties of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 317.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 111507774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).