N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine

C26H24N4S2 — CID 110502466

About N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 110502466) has the molecular formula C26H24N4S2 and a molecular weight of 456.64 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 110502466
• Molecular Formula: C26H24N4S2
• Molecular Weight: 456.64 g/mol
• Exact Mass: 456.14
• IUPAC Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: Cc1ccc(-c2csc(Nc3ncnc4scc(-c5ccc(C(C)C)cc5)c34)n2)cc1C
• InChI: InChI=1S/C26H24N4S2/c1-15(2)18-7-9-19(10-8-18)21-12-31-25-23(21)24(27-14-28-25)30-26-29-22(13-32-26)20-6-5-16(3)17(4)11-20/h5-15H,1-4H3,(H,27,28,29,30)
• InChIKey: GUFMVDLZYJFRCJ-UHFFFAOYSA-N
• XLogP: 7.97
• TPSA: 50.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.64
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 110502466) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2csc(Nc3ncnc4scc(-c5ccc(C(C)C)cc5)c34)n2)cc1C.

What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is GUFMVDLZYJFRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4S2/c1-15(2)18-7-9-19(10-8-18)21-12-31-25-23(21)24(27-14-28-25)30-26-29-22(13-32-26)20-6-5-16(3)17(4)11-20/h5-15H,1-4H3,(H,27,28,29,30).

What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 456.64 g/mol, XLogP of 7.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110502466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).