N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide

C30H27N3O4S — CID 3143836

About N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide

N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide (PubChem CID 3143836) has the molecular formula C30H27N3O4S and a molecular weight of 525.63 g/mol. Its IUPAC name is N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
• PubChem CID: 3143836
• Molecular Formula: C30H27N3O4S
• Molecular Weight: 525.63 g/mol
• Exact Mass: 525.17
• IUPAC Name: N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
• SMILES: CCc1sc(NC(=O)c2cc3cc(OC)ccc3o/c2=N\c2cccc(OC)c2)nc1-c1ccc(C)cc1
• InChI: InChI=1S/C30H27N3O4S/c1-5-26-27(19-11-9-18(2)10-12-19)32-30(38-26)33-28(34)24-16-20-15-23(36-4)13-14-25(20)37-29(24)31-21-7-6-8-22(17-21)35-3/h6-17H,5H2,1-4H3,(H,32,33,34)/b31-29-
• InChIKey: HVLBHIOAYXLTNM-YCNYHXFESA-N
• XLogP: 6.93
• TPSA: 85.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.63
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide?

The IUPAC name of N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide (CID 3143836) is N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide.

What is the SMILES notation for N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide?

The canonical SMILES for N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide is CCc1sc(NC(=O)c2cc3cc(OC)ccc3o/c2=N\c2cccc(OC)c2)nc1-c1ccc(C)cc1.

What is the InChIKey of N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide?

The InChIKey is HVLBHIOAYXLTNM-YCNYHXFESA-N. The full InChI is InChI=1S/C30H27N3O4S/c1-5-26-27(19-11-9-18(2)10-12-19)32-30(38-26)33-28(34)24-16-20-15-23(36-4)13-14-25(20)37-29(24)31-21-7-6-8-22(17-21)35-3/h6-17H,5H2,1-4H3,(H,32,33,34)/b31-29-.

What are the key properties of N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide?

N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide has a molecular weight of 525.63 g/mol, XLogP of 6.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 3143836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).