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

C33H33N3O3S — CID 3143800

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

N-[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]-6-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide (PubChem CID 3143800) has the molecular formula C33H33N3O3S and a molecular weight of 551.71 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]-6-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]-6-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
• PubChem CID: 3143800
• Molecular Formula: C33H33N3O3S
• Molecular Weight: 551.71 g/mol
• Exact Mass: 551.22
• IUPAC Name: N-[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]-6-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
• SMILES: CCc1sc(NC(=O)c2cc3cc(OC)ccc3o/c2=N\c2cccc(C)c2)nc1-c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C33H33N3O3S/c1-7-28-29(21-11-13-23(14-12-21)33(3,4)5)35-32(40-28)36-30(37)26-19-22-18-25(38-6)15-16-27(22)39-31(26)34-24-10-8-9-20(2)17-24/h8-19H,7H2,1-6H3,(H,35,36,37)/b34-31-
• InChIKey: GUZZHCOUYSDGSZ-NMSHJFGGSA-N
• XLogP: 8.22
• TPSA: 76.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.71
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]-6-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide (CID 3143800) is N-[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]-6-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide.

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

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

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

The InChIKey is GUZZHCOUYSDGSZ-NMSHJFGGSA-N. The full InChI is InChI=1S/C33H33N3O3S/c1-7-28-29(21-11-13-23(14-12-21)33(3,4)5)35-32(40-28)36-30(37)26-19-22-18-25(38-6)15-16-27(22)39-31(26)34-24-10-8-9-20(2)17-24/h8-19H,7H2,1-6H3,(H,35,36,37)/b34-31-.

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

N-[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]-6-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide has a molecular weight of 551.71 g/mol, XLogP of 8.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]-6-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 3143800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).