N-[5-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-8-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide

C32H31N3O4S — CID 3143844

About N-[5-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-8-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide

N-[5-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-8-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide (PubChem CID 3143844) has the molecular formula C32H31N3O4S and a molecular weight of 553.68 g/mol. Its IUPAC name is N-[5-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-8-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-8-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
• PubChem CID: 3143844
• Molecular Formula: C32H31N3O4S
• Molecular Weight: 553.68 g/mol
• Exact Mass: 553.20
• IUPAC Name: N-[5-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-8-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
• SMILES: CCc1sc(NC(=O)c2cc3cccc(OC)c3o/c2=N\c2cccc(OC)c2)nc1-c1ccc(C(C)C)cc1
• InChI: InChI=1S/C32H31N3O4S/c1-6-27-28(21-15-13-20(14-16-21)19(2)3)34-32(40-27)35-30(36)25-17-22-9-7-12-26(38-5)29(22)39-31(25)33-23-10-8-11-24(18-23)37-4/h7-19H,6H2,1-5H3,(H,34,35,36)/b33-31-
• InChIKey: CZVSDGROMTWOSB-FPODKLOTSA-N
• XLogP: 7.74
• TPSA: 85.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.68
LogP ≤ 5	7.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-8-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide?

The IUPAC name of N-[5-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-8-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide (CID 3143844) is N-[5-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-8-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide.

What is the SMILES notation for N-[5-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-8-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide?

The canonical SMILES for N-[5-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-8-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide is CCc1sc(NC(=O)c2cc3cccc(OC)c3o/c2=N\c2cccc(OC)c2)nc1-c1ccc(C(C)C)cc1.

What is the InChIKey of N-[5-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-8-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide?

The InChIKey is CZVSDGROMTWOSB-FPODKLOTSA-N. The full InChI is InChI=1S/C32H31N3O4S/c1-6-27-28(21-15-13-20(14-16-21)19(2)3)34-32(40-27)35-30(36)25-17-22-9-7-12-26(38-5)29(22)39-31(25)33-23-10-8-11-24(18-23)37-4/h7-19H,6H2,1-5H3,(H,34,35,36)/b33-31-.

What are the key properties of N-[5-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-8-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide?

N-[5-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-8-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide has a molecular weight of 553.68 g/mol, XLogP of 7.74, 8 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-propan-2-ylphenyl)-1,3-thiazol-2-yl]-8-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 3143844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).