2-[1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide

C27H26ClF3N4O3S — CID 135363801

About 2-[1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide

2-[1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 135363801) has the molecular formula C27H26ClF3N4O3S and a molecular weight of 579.04 g/mol. Its IUPAC name is 2-[1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 135363801
• Molecular Formula: C27H26ClF3N4O3S
• Molecular Weight: 579.04 g/mol
• Exact Mass: 578.14
• IUPAC Name: 2-[1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
• SMILES: O=C(NC1CCCc2ccccc21)c1csc(C2CCN(C(=O)Cn3cc(C(F)(F)F)cc(Cl)c3=O)CC2)n1
• InChI: InChI=1S/C27H26ClF3N4O3S/c28-20-12-18(27(29,30)31)13-35(26(20)38)14-23(36)34-10-8-17(9-11-34)25-33-22(15-39-25)24(37)32-21-7-3-5-16-4-1-2-6-19(16)21/h1-2,4,6,12-13,15,17,21H,3,5,7-11,14H2,(H,32,37)
• InChIKey: VHDAWQCWWLEYRI-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.04
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide (CID 135363801) is 2-[1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide is O=C(NC1CCCc2ccccc21)c1csc(C2CCN(C(=O)Cn3cc(C(F)(F)F)cc(Cl)c3=O)CC2)n1.

What is the InChIKey of 2-[1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is VHDAWQCWWLEYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClF3N4O3S/c28-20-12-18(27(29,30)31)13-35(26(20)38)14-23(36)34-10-8-17(9-11-34)25-33-22(15-39-25)24(37)32-21-7-3-5-16-4-1-2-6-19(16)21/h1-2,4,6,12-13,15,17,21H,3,5,7-11,14H2,(H,32,37).

What are the key properties of 2-[1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide?

2-[1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 579.04 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 135363801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).