4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-ol

C22H24N2O2S — CID 123969969

About 4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-ol

4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 123969969) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

• Compound Name: 4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-ol
• PubChem CID: 123969969
• Molecular Formula: C22H24N2O2S
• Molecular Weight: 380.51 g/mol
• Exact Mass: 380.16
• IUPAC Name: 4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-ol
• SMILES: CNc1cc(-c2ncc(-c3cccc4c3CCC4O)s2)ccc1OC(C)C
• InChI: InChI=1S/C22H24N2O2S/c1-13(2)26-20-10-7-14(11-18(20)23-3)22-24-12-21(27-22)17-6-4-5-16-15(17)8-9-19(16)25/h4-7,10-13,19,23,25H,8-9H2,1-3H3
• InChIKey: GUYBASIWGAPOLV-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 54.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.51
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-ol?

The IUPAC name of 4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-ol (CID 123969969) is 4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-ol.

What is the SMILES notation for 4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-ol?

The canonical SMILES for 4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-ol is CNc1cc(-c2ncc(-c3cccc4c3CCC4O)s2)ccc1OC(C)C.

What is the InChIKey of 4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-ol?

The InChIKey is GUYBASIWGAPOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-13(2)26-20-10-7-14(11-18(20)23-3)22-24-12-21(27-22)17-6-4-5-16-15(17)8-9-19(16)25/h4-7,10-13,19,23,25H,8-9H2,1-3H3.

What are the key properties of 4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-ol?

4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 380.51 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3-(methylamino)-4-propan-2-yloxyphenyl]-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 123969969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).