5-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-N-(4-propan-2-ylphenyl)-1,3-thiazole-2,4-diamine

C25H29N5S2 — CID 21357994

About 5-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-N-(4-propan-2-ylphenyl)-1,3-thiazole-2,4-diamine

5-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-N-(4-propan-2-ylphenyl)-1,3-thiazole-2,4-diamine (PubChem CID 21357994) has the molecular formula C25H29N5S2 and a molecular weight of 463.68 g/mol. Its IUPAC name is 5-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-N-(4-propan-2-ylphenyl)-1,3-thiazole-2,4-diamine.

Molecular Properties

• Compound Name: 5-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-N-(4-propan-2-ylphenyl)-1,3-thiazole-2,4-diamine
• PubChem CID: 21357994
• Molecular Formula: C25H29N5S2
• Molecular Weight: 463.68 g/mol
• Exact Mass: 463.19
• IUPAC Name: 5-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-N-(4-propan-2-ylphenyl)-1,3-thiazole-2,4-diamine
• SMILES: CCN(CC)c1ccc(-c2csc(-c3sc(Nc4ccc(C(C)C)cc4)nc3N)n2)cc1
• InChI: InChI=1S/C25H29N5S2/c1-5-30(6-2)20-13-9-18(10-14-20)21-15-31-24(28-21)22-23(26)29-25(32-22)27-19-11-7-17(8-12-19)16(3)4/h7-16H,5-6,26H2,1-4H3,(H,27,29)
• InChIKey: JRFNEPNWOXWTNT-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 67.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.68
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-N-(4-propan-2-ylphenyl)-1,3-thiazole-2,4-diamine?

The IUPAC name of 5-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-N-(4-propan-2-ylphenyl)-1,3-thiazole-2,4-diamine (CID 21357994) is 5-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-N-(4-propan-2-ylphenyl)-1,3-thiazole-2,4-diamine.

What is the SMILES notation for 5-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-N-(4-propan-2-ylphenyl)-1,3-thiazole-2,4-diamine?

The canonical SMILES for 5-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-N-(4-propan-2-ylphenyl)-1,3-thiazole-2,4-diamine is CCN(CC)c1ccc(-c2csc(-c3sc(Nc4ccc(C(C)C)cc4)nc3N)n2)cc1.

What is the InChIKey of 5-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-N-(4-propan-2-ylphenyl)-1,3-thiazole-2,4-diamine?

The InChIKey is JRFNEPNWOXWTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5S2/c1-5-30(6-2)20-13-9-18(10-14-20)21-15-31-24(28-21)22-23(26)29-25(32-22)27-19-11-7-17(8-12-19)16(3)4/h7-16H,5-6,26H2,1-4H3,(H,27,29).

What are the key properties of 5-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-N-(4-propan-2-ylphenyl)-1,3-thiazole-2,4-diamine?

5-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-N-(4-propan-2-ylphenyl)-1,3-thiazole-2,4-diamine has a molecular weight of 463.68 g/mol, XLogP of 7.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-N-(4-propan-2-ylphenyl)-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 21357994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).