N-[4-[2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxan-4-amine

C27H32N2O2S — CID 123237877

About N-[4-[2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxan-4-amine

N-[4-[2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxan-4-amine (PubChem CID 123237877) has the molecular formula C27H32N2O2S and a molecular weight of 448.63 g/mol. Its IUPAC name is N-[4-[2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxan-4-amine.

Molecular Properties

• Compound Name: N-[4-[2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxan-4-amine
• PubChem CID: 123237877
• Molecular Formula: C27H32N2O2S
• Molecular Weight: 448.63 g/mol
• Exact Mass: 448.22
• IUPAC Name: N-[4-[2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxan-4-amine
• SMILES: Cc1cc(-c2ncc(-c3cccc4c3CCC4NC3CCOCC3)s2)ccc1OC(C)C
• InChI: InChI=1S/C27H32N2O2S/c1-17(2)31-25-10-7-19(15-18(25)3)27-28-16-26(32-27)23-6-4-5-22-21(23)8-9-24(22)29-20-11-13-30-14-12-20/h4-7,10,15-17,20,24,29H,8-9,11-14H2,1-3H3
• InChIKey: VVPZDFBUWLQAQW-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 43.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.63
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxan-4-amine (CID 123237877) is N-[4-[2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxan-4-amine.

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

The canonical SMILES for N-[4-[2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxan-4-amine is Cc1cc(-c2ncc(-c3cccc4c3CCC4NC3CCOCC3)s2)ccc1OC(C)C.

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

The InChIKey is VVPZDFBUWLQAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2S/c1-17(2)31-25-10-7-19(15-18(25)3)27-28-16-26(32-27)23-6-4-5-22-21(23)8-9-24(22)29-20-11-13-30-14-12-20/h4-7,10,15-17,20,24,29H,8-9,11-14H2,1-3H3.

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

N-[4-[2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxan-4-amine has a molecular weight of 448.63 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxan-4-amine is sourced from PubChem (CID 123237877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).