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

C25H22N4S2 — CID 110502520

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

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 110502520) has the molecular formula C25H22N4S2 and a molecular weight of 442.61 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 110502520
• Molecular Formula: C25H22N4S2
• Molecular Weight: 442.61 g/mol
• Exact Mass: 442.13
• IUPAC Name: N-[4-(4-methylphenyl)-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)cc1
• InChI: InChI=1S/C25H22N4S2/c1-15(2)17-8-10-18(11-9-17)20-12-30-24-22(20)23(26-14-27-24)29-25-28-21(13-31-25)19-6-4-16(3)5-7-19/h4-15H,1-3H3,(H,26,27,28,29)
• InChIKey: HVDMPGYJYQTEDV-UHFFFAOYSA-N
• XLogP: 7.66
• TPSA: 50.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.61
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 110502520) is N-[4-(4-methylphenyl)-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-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-[4-(4-methylphenyl)-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)cc1.

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

The InChIKey is HVDMPGYJYQTEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4S2/c1-15(2)17-8-10-18(11-9-17)20-12-30-24-22(20)23(26-14-27-24)29-25-28-21(13-31-25)19-6-4-16(3)5-7-19/h4-15H,1-3H3,(H,26,27,28,29).

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

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 442.61 g/mol, XLogP of 7.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110502520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).