1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

C18H23N3O2S — CID 71922586

About 1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 71922586) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
• PubChem CID: 71922586
• Molecular Formula: C18H23N3O2S
• Molecular Weight: 345.47 g/mol
• Exact Mass: 345.15
• IUPAC Name: 1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
• SMILES: Cc1ncsc1CNC(=O)N(CCCO)C1CCc2ccccc21
• InChI: InChI=1S/C18H23N3O2S/c1-13-17(24-12-20-13)11-19-18(23)21(9-4-10-22)16-8-7-14-5-2-3-6-15(14)16/h2-3,5-6,12,16,22H,4,7-11H2,1H3,(H,19,23)
• InChIKey: LNYZINAEMCIKBE-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 65.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.47
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?

The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (CID 71922586) is 1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.

What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?

The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncsc1CNC(=O)N(CCCO)C1CCc2ccccc21.

What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?

The InChIKey is LNYZINAEMCIKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-17(24-12-20-13)11-19-18(23)21(9-4-10-22)16-8-7-14-5-2-3-6-15(14)16/h2-3,5-6,12,16,22H,4,7-11H2,1H3,(H,19,23).

What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?

1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 345.47 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 71922586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).