5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-2H-pyrrol-3-ol

C24H24N4O5S — CID 136746296

About 5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-2H-pyrrol-3-ol

5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-2H-pyrrol-3-ol (PubChem CID 136746296) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is 5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-2H-pyrrol-3-ol.

Molecular Properties

• Compound Name: 5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-2H-pyrrol-3-ol
• PubChem CID: 136746296
• Molecular Formula: C24H24N4O5S
• Molecular Weight: 480.55 g/mol
• Exact Mass: 480.15
• IUPAC Name: 5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-2H-pyrrol-3-ol
• SMILES: [H]/N=C1/C(c2nc(-c3ccc(OC)cc3)cs2)=C(O)CN1/N=C\c1cc(OC)c(OC)c(OC)c1
• InChI: InChI=1S/C24H24N4O5S/c1-30-16-7-5-15(6-8-16)17-13-34-24(27-17)21-18(29)12-28(23(21)25)26-11-14-9-19(31-2)22(33-4)20(10-14)32-3/h5-11,13,25,29H,12H2,1-4H3/b25-23-,26-11-
• InChIKey: RKBSIWOCYCJKPN-HJUDKWJYSA-N
• XLogP: 4.44
• TPSA: 109.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.55
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-2H-pyrrol-3-ol?

The IUPAC name of 5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-2H-pyrrol-3-ol (CID 136746296) is 5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-2H-pyrrol-3-ol.

What is the SMILES notation for 5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-2H-pyrrol-3-ol?

The canonical SMILES for 5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc(-c3ccc(OC)cc3)cs2)=C(O)CN1/N=C\c1cc(OC)c(OC)c(OC)c1.

What is the InChIKey of 5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-2H-pyrrol-3-ol?

The InChIKey is RKBSIWOCYCJKPN-HJUDKWJYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-30-16-7-5-15(6-8-16)17-13-34-24(27-17)21-18(29)12-28(23(21)25)26-11-14-9-19(31-2)22(33-4)20(10-14)32-3/h5-11,13,25,29H,12H2,1-4H3/b25-23-,26-11-.

What are the key properties of 5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-2H-pyrrol-3-ol?

5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-2H-pyrrol-3-ol has a molecular weight of 480.55 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-2H-pyrrol-3-ol is sourced from PubChem (CID 136746296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).