2-(2-piperidin-1-yl-4-pyridinyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide

C24H26N4OS — CID 95056667

About 2-(2-piperidin-1-yl-4-pyridinyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide

2-(2-piperidin-1-yl-4-pyridinyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 95056667) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is 2-(2-piperidin-1-yl-4-pyridinyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-piperidin-1-yl-4-pyridinyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 95056667
• Molecular Formula: C24H26N4OS
• Molecular Weight: 418.57 g/mol
• Exact Mass: 418.18
• IUPAC Name: 2-(2-piperidin-1-yl-4-pyridinyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide
• SMILES: O=C(N[C@H]1CCCc2ccccc21)c1csc(-c2ccnc(N3CCCCC3)c2)n1
• InChI: InChI=1S/C24H26N4OS/c29-23(26-20-10-6-8-17-7-2-3-9-19(17)20)21-16-30-24(27-21)18-11-12-25-22(15-18)28-13-4-1-5-14-28/h2-3,7,9,11-12,15-16,20H,1,4-6,8,10,13-14H2,(H,26,29)/t20-/m0/s1
• InChIKey: ZCRNRYYWCLKTRO-FQEVSTJZSA-N
• XLogP: 5.00
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.57
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-yl-4-pyridinyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-(2-piperidin-1-yl-4-pyridinyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide (CID 95056667) is 2-(2-piperidin-1-yl-4-pyridinyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-(2-piperidin-1-yl-4-pyridinyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-(2-piperidin-1-yl-4-pyridinyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide is O=C(N[C@H]1CCCc2ccccc21)c1csc(-c2ccnc(N3CCCCC3)c2)n1.

What is the InChIKey of 2-(2-piperidin-1-yl-4-pyridinyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is ZCRNRYYWCLKTRO-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26N4OS/c29-23(26-20-10-6-8-17-7-2-3-9-19(17)20)21-16-30-24(27-21)18-11-12-25-22(15-18)28-13-4-1-5-14-28/h2-3,7,9,11-12,15-16,20H,1,4-6,8,10,13-14H2,(H,26,29)/t20-/m0/s1.

What are the key properties of 2-(2-piperidin-1-yl-4-pyridinyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide?

2-(2-piperidin-1-yl-4-pyridinyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 418.57 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-piperidin-1-yl-4-pyridinyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95056667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).