N-[4-(6-methoxynaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C32H26N2O2S — CID 10006257

About N-[4-(6-methoxynaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

N-[4-(6-methoxynaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 10006257) has the molecular formula C32H26N2O2S and a molecular weight of 502.64 g/mol. Its IUPAC name is N-[4-(6-methoxynaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

• Compound Name: N-[4-(6-methoxynaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
• PubChem CID: 10006257
• Molecular Formula: C32H26N2O2S
• Molecular Weight: 502.64 g/mol
• Exact Mass: 502.17
• IUPAC Name: N-[4-(6-methoxynaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
• SMILES: COc1ccc2c(-c3csc(NC(=O)C4(C)CC5c6ccccc6C4c4ccccc45)n3)cccc2c1
• InChI: InChI=1S/C32H26N2O2S/c1-32(17-27-22-9-3-5-11-25(22)29(32)26-12-6-4-10-23(26)27)30(35)34-31-33-28(18-37-31)24-13-7-8-19-16-20(36-2)14-15-21(19)24/h3-16,18,27,29H,17H2,1-2H3,(H,33,34,35)
• InChIKey: XCIJWAYBFPFHQW-UHFFFAOYSA-N
• XLogP: 7.60
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.64
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxynaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?

The IUPAC name of N-[4-(6-methoxynaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 10006257) is N-[4-(6-methoxynaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

What is the SMILES notation for N-[4-(6-methoxynaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?

The canonical SMILES for N-[4-(6-methoxynaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is COc1ccc2c(-c3csc(NC(=O)C4(C)CC5c6ccccc6C4c4ccccc45)n3)cccc2c1.

What is the InChIKey of N-[4-(6-methoxynaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?

The InChIKey is XCIJWAYBFPFHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O2S/c1-32(17-27-22-9-3-5-11-25(22)29(32)26-12-6-4-10-23(26)27)30(35)34-31-33-28(18-37-31)24-13-7-8-19-16-20(36-2)14-15-21(19)24/h3-16,18,27,29H,17H2,1-2H3,(H,33,34,35).

What are the key properties of N-[4-(6-methoxynaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?

N-[4-(6-methoxynaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 502.64 g/mol, XLogP of 7.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-methoxynaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 10006257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).