1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide

C25H28N2O3S — CID 11683549

About 1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide

1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide (PubChem CID 11683549) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
• PubChem CID: 11683549
• Molecular Formula: C25H28N2O3S
• Molecular Weight: 436.58 g/mol
• Exact Mass: 436.18
• IUPAC Name: 1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
• SMILES: COc1ccc(C2(C(=O)Nc3ncc(Cc4ccccc4OC)s3)CCCCC2)cc1
• InChI: InChI=1S/C25H28N2O3S/c1-29-20-12-10-19(11-13-20)25(14-6-3-7-15-25)23(28)27-24-26-17-21(31-24)16-18-8-4-5-9-22(18)30-2/h4-5,8-13,17H,3,6-7,14-16H2,1-2H3,(H,26,27,28)
• InChIKey: VXCAWOIVKRRARK-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.58
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?

The IUPAC name of 1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide (CID 11683549) is 1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide.

What is the SMILES notation for 1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?

The canonical SMILES for 1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide is COc1ccc(C2(C(=O)Nc3ncc(Cc4ccccc4OC)s3)CCCCC2)cc1.

What is the InChIKey of 1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?

The InChIKey is VXCAWOIVKRRARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-29-20-12-10-19(11-13-20)25(14-6-3-7-15-25)23(28)27-24-26-17-21(31-24)16-18-8-4-5-9-22(18)30-2/h4-5,8-13,17H,3,6-7,14-16H2,1-2H3,(H,26,27,28).

What are the key properties of 1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?

1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 11683549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).