N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C24H26N6OS2 — CID 10227571

About N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 10227571) has the molecular formula C24H26N6OS2 and a molecular weight of 478.65 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
• PubChem CID: 10227571
• Molecular Formula: C24H26N6OS2
• Molecular Weight: 478.65 g/mol
• Exact Mass: 478.16
• IUPAC Name: N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
• SMILES: CN(C)c1nc(NC2CCC(NC(=O)c3csc(-c4cccs4)n3)CC2)nc2ccccc12
• InChI: InChI=1S/C24H26N6OS2/c1-30(2)21-17-6-3-4-7-18(17)28-24(29-21)26-16-11-9-15(10-12-16)25-22(31)19-14-33-23(27-19)20-8-5-13-32-20/h3-8,13-16H,9-12H2,1-2H3,(H,25,31)(H,26,28,29)
• InChIKey: NNARETIPEASIJL-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 83.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.65
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 10227571) is N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is CN(C)c1nc(NC2CCC(NC(=O)c3csc(-c4cccs4)n3)CC2)nc2ccccc12.

What is the InChIKey of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

The InChIKey is NNARETIPEASIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6OS2/c1-30(2)21-17-6-3-4-7-18(17)28-24(29-21)26-16-11-9-15(10-12-16)25-22(31)19-14-33-23(27-19)20-8-5-13-32-20/h3-8,13-16H,9-12H2,1-2H3,(H,25,31)(H,26,28,29).

What are the key properties of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 478.65 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 10227571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).