4-chloro-N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide

C21H26ClF2N5OS — CID 156734998

About 4-chloro-N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide

4-chloro-N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 156734998) has the molecular formula C21H26ClF2N5OS and a molecular weight of 469.99 g/mol. Its IUPAC name is 4-chloro-N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
• PubChem CID: 156734998
• Molecular Formula: C21H26ClF2N5OS
• Molecular Weight: 469.99 g/mol
• Exact Mass: 469.15
• IUPAC Name: 4-chloro-N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
• SMILES: C[C@@H]1CCCN(C2CCN(c3nc(Cl)c(C(=O)NCc4ncc(F)cc4F)s3)CC2)C1
• InChI: InChI=1S/C21H26ClF2N5OS/c1-13-3-2-6-29(12-13)15-4-7-28(8-5-15)21-27-19(22)18(31-21)20(30)26-11-17-16(24)9-14(23)10-25-17/h9-10,13,15H,2-8,11-12H2,1H3,(H,26,30)/t13-/m1/s1
• InChIKey: IOMRPTUJPIQXAG-CYBMUJFWSA-N
• XLogP: 4.10
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.99
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-chloro-N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 156734998) is 4-chloro-N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-chloro-N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-chloro-N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is C[C@@H]1CCCN(C2CCN(c3nc(Cl)c(C(=O)NCc4ncc(F)cc4F)s3)CC2)C1.

What is the InChIKey of 4-chloro-N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?

The InChIKey is IOMRPTUJPIQXAG-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H26ClF2N5OS/c1-13-3-2-6-29(12-13)15-4-7-28(8-5-15)21-27-19(22)18(31-21)20(30)26-11-17-16(24)9-14(23)10-25-17/h9-10,13,15H,2-8,11-12H2,1H3,(H,26,30)/t13-/m1/s1.

What are the key properties of 4-chloro-N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?

4-chloro-N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 469.99 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156734998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).