N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C23H24N4OS2 — CID 19617210

About N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 19617210) has the molecular formula C23H24N4OS2 and a molecular weight of 436.61 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 19617210
• Molecular Formula: C23H24N4OS2
• Molecular Weight: 436.61 g/mol
• Exact Mass: 436.14
• IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2cccnc2)sc1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
• InChI: InChI=1S/C23H24N4OS2/c1-13-19(30-21(25-13)17-3-2-4-24-11-17)20(28)27-22-26-18(12-29-22)23-8-14-5-15(9-23)7-16(6-14)10-23/h2-4,11-12,14-16H,5-10H2,1H3,(H,26,27,28)
• InChIKey: MTZDTBHVGYFJPC-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 67.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.61
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 19617210) is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1.

What is the InChIKey of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

The InChIKey is MTZDTBHVGYFJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS2/c1-13-19(30-21(25-13)17-3-2-4-24-11-17)20(28)27-22-26-18(12-29-22)23-8-14-5-15(9-23)7-16(6-14)10-23/h2-4,11-12,14-16H,5-10H2,1H3,(H,26,27,28).

What are the key properties of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 436.61 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 19617210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).