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

C15H17N3O2S — CID 111508356

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

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 111508356) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
• PubChem CID: 111508356
• Molecular Formula: C15H17N3O2S
• Molecular Weight: 303.39 g/mol
• Exact Mass: 303.10
• IUPAC Name: 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
• SMILES: Cc1cnc(CNC(=O)NC2c3ccccc3CC2O)s1
• InChI: InChI=1S/C15H17N3O2S/c1-9-7-16-13(21-9)8-17-15(20)18-14-11-5-3-2-4-10(11)6-12(14)19/h2-5,7,12,14,19H,6,8H2,1H3,(H2,17,18,20)
• InChIKey: YCHWHLUGNATXOV-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 74.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.39
LogP ≤ 5	1.91
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-[(5-methyl-1,3-thiazol-2-yl)methyl]urea?

The IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea (CID 111508356) is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea.

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

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

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

The InChIKey is YCHWHLUGNATXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9-7-16-13(21-9)8-17-15(20)18-14-11-5-3-2-4-10(11)6-12(14)19/h2-5,7,12,14,19H,6,8H2,1H3,(H2,17,18,20).

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

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 303.39 g/mol, XLogP of 1.91, 3 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-[(5-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 111508356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).