N-[6-(6-amino-5-methanimidoylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-tert-butyl-1,3-thiazole-2-carboxamide

C23H26N6OS — CID 144863071

About N-[6-(6-amino-5-methanimidoylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-tert-butyl-1,3-thiazole-2-carboxamide

N-[6-(6-amino-5-methanimidoylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-tert-butyl-1,3-thiazole-2-carboxamide (PubChem CID 144863071) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[6-(6-amino-5-methanimidoylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-tert-butyl-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-(6-amino-5-methanimidoylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-tert-butyl-1,3-thiazole-2-carboxamide
• PubChem CID: 144863071
• Molecular Formula: C23H26N6OS
• Molecular Weight: 434.57 g/mol
• Exact Mass: 434.19
• IUPAC Name: N-[6-(6-amino-5-methanimidoylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-tert-butyl-1,3-thiazole-2-carboxamide
• SMILES: [H]/N=C/c1c(N)ncnc1-c1ccc2c(c1)CCCC2NC(=O)c1nc(C(C)(C)C)cs1
• InChI: InChI=1S/C23H26N6OS/c1-23(2,3)18-11-31-22(29-18)21(30)28-17-6-4-5-13-9-14(7-8-15(13)17)19-16(10-24)20(25)27-12-26-19/h7-12,17,24H,4-6H2,1-3H3,(H,28,30)(H2,25,26,27)/b24-10+
• InChIKey: LOPLOEMBSGYTAH-YSURURNPSA-N
• XLogP: 4.28
• TPSA: 117.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.57
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-(6-amino-5-methanimidoylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-tert-butyl-1,3-thiazole-2-carboxamide?

The IUPAC name of N-[6-(6-amino-5-methanimidoylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-tert-butyl-1,3-thiazole-2-carboxamide (CID 144863071) is N-[6-(6-amino-5-methanimidoylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-tert-butyl-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-[6-(6-amino-5-methanimidoylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-tert-butyl-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-[6-(6-amino-5-methanimidoylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-tert-butyl-1,3-thiazole-2-carboxamide is [H]/N=C/c1c(N)ncnc1-c1ccc2c(c1)CCCC2NC(=O)c1nc(C(C)(C)C)cs1.

What is the InChIKey of N-[6-(6-amino-5-methanimidoylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-tert-butyl-1,3-thiazole-2-carboxamide?

The InChIKey is LOPLOEMBSGYTAH-YSURURNPSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-23(2,3)18-11-31-22(29-18)21(30)28-17-6-4-5-13-9-14(7-8-15(13)17)19-16(10-24)20(25)27-12-26-19/h7-12,17,24H,4-6H2,1-3H3,(H,28,30)(H2,25,26,27)/b24-10+.

What are the key properties of N-[6-(6-amino-5-methanimidoylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-tert-butyl-1,3-thiazole-2-carboxamide?

N-[6-(6-amino-5-methanimidoylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-tert-butyl-1,3-thiazole-2-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.28, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(6-amino-5-methanimidoylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-tert-butyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 144863071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).