N-(2-methoxyethyl)-N-[[4-[7-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]methyl]acetamide

C30H30N6O3S — CID 23159015

About N-(2-methoxyethyl)-N-[[4-[7-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]methyl]acetamide

N-(2-methoxyethyl)-N-[[4-[7-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]methyl]acetamide (PubChem CID 23159015) has the molecular formula C30H30N6O3S and a molecular weight of 554.68 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[4-[7-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-N-[[4-[7-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]methyl]acetamide
• PubChem CID: 23159015
• Molecular Formula: C30H30N6O3S
• Molecular Weight: 554.68 g/mol
• Exact Mass: 554.21
• IUPAC Name: N-(2-methoxyethyl)-N-[[4-[7-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]methyl]acetamide
• SMILES: COCCN(Cc1ccc(-c2nc3c(Nc4ccc(Oc5ccc(C)nc5)c(C)c4)ncnc3s2)cc1)C(C)=O
• InChI: InChI=1S/C30H30N6O3S/c1-19-15-24(10-12-26(19)39-25-11-5-20(2)31-16-25)34-28-27-30(33-18-32-28)40-29(35-27)23-8-6-22(7-9-23)17-36(21(3)37)13-14-38-4/h5-12,15-16,18H,13-14,17H2,1-4H3,(H,32,33,34)
• InChIKey: KDDCJITXEGTWBL-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 102.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.68
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[4-[7-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]methyl]acetamide?

The IUPAC name of N-(2-methoxyethyl)-N-[[4-[7-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]methyl]acetamide (CID 23159015) is N-(2-methoxyethyl)-N-[[4-[7-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]methyl]acetamide.

What is the SMILES notation for N-(2-methoxyethyl)-N-[[4-[7-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]methyl]acetamide?

The canonical SMILES for N-(2-methoxyethyl)-N-[[4-[7-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]methyl]acetamide is COCCN(Cc1ccc(-c2nc3c(Nc4ccc(Oc5ccc(C)nc5)c(C)c4)ncnc3s2)cc1)C(C)=O.

What is the InChIKey of N-(2-methoxyethyl)-N-[[4-[7-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]methyl]acetamide?

The InChIKey is KDDCJITXEGTWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O3S/c1-19-15-24(10-12-26(19)39-25-11-5-20(2)31-16-25)34-28-27-30(33-18-32-28)40-29(35-27)23-8-6-22(7-9-23)17-36(21(3)37)13-14-38-4/h5-12,15-16,18H,13-14,17H2,1-4H3,(H,32,33,34).

What are the key properties of N-(2-methoxyethyl)-N-[[4-[7-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]methyl]acetamide?

N-(2-methoxyethyl)-N-[[4-[7-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]methyl]acetamide has a molecular weight of 554.68 g/mol, XLogP of 6.30, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-N-[[4-[7-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 23159015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).