N-benzyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N,2-dibenzyl-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide

C85H76N16O5S5 — CID 159420920

About N-benzyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N,2-dibenzyl-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide

N-benzyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N,2-dibenzyl-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 159420920) has the molecular formula C85H76N16O5S5 and a molecular weight of 1561.98 g/mol. Its IUPAC name is N-benzyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N,2-dibenzyl-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N,2-dibenzyl-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 159420920
• Molecular Formula: C85H76N16O5S5
• Molecular Weight: 1561.98 g/mol
• Exact Mass: 1560.48
• IUPAC Name: N-benzyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N,2-dibenzyl-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide
• SMILES: Cc1ccc(CNC(=O)c2csc(Cc3ccncn3)n2)cc1.O=C(NCc1ccccc1)c1csc(Cc2ccccc2)n1.O=C(NCc1ccccc1)c1csc(Cc2ccccn2)n1.O=C(NCc1ccccc1)c1csc(Cc2ccncc2)n1.O=C(NCc1ccccc1)c1csc(Cc2ccncn2)n1
• InChI: InChI=1S/C18H16N2OS.C17H16N4OS.2C17H15N3OS.C16H14N4OS/c21-18(19-12-15-9-5-2-6-10-15)16-13-22-17(20-16)11-14-7-3-1-4-8-14;1-12-2-4-13(5-3-12)9-19-17(22)15-10-23-16(21-15)8-14-6-7-18-11-20-14;21-17(19-11-13-6-2-1-3-7-13)15-12-22-16(20-15)10-14-8-4-5-9-18-14;21-17(19-11-14-4-2-1-3-5-14)15-12-22-16(20-15)10-13-6-8-18-9-7-13;21-16(18-9-12-4-2-1-3-5-12)14-10-22-15(20-14)8-13-6-7-17-11-19-13/h1-10,13H,11-12H2,(H,19,21);2-7,10-11H,8-9H2,1H3,(H,19,22);2*1-9,12H,10-11H2,(H,19,21);1-7,10-11H,8-9H2,(H,18,21)
• InChIKey: LPTHBZJWPWFGCX-UHFFFAOYSA-N
• XLogP: 15.00
• TPSA: 287.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1561.98
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N,2-dibenzyl-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of N-benzyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N,2-dibenzyl-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide (CID 159420920) is N-benzyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N,2-dibenzyl-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-benzyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N,2-dibenzyl-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-benzyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N,2-dibenzyl-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide is Cc1ccc(CNC(=O)c2csc(Cc3ccncn3)n2)cc1.O=C(NCc1ccccc1)c1csc(Cc2ccccc2)n1.O=C(NCc1ccccc1)c1csc(Cc2ccccn2)n1.O=C(NCc1ccccc1)c1csc(Cc2ccncc2)n1.O=C(NCc1ccccc1)c1csc(Cc2ccncn2)n1.

What is the InChIKey of N-benzyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N,2-dibenzyl-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide?

The InChIKey is LPTHBZJWPWFGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS.C17H16N4OS.2C17H15N3OS.C16H14N4OS/c21-18(19-12-15-9-5-2-6-10-15)16-13-22-17(20-16)11-14-7-3-1-4-8-14;1-12-2-4-13(5-3-12)9-19-17(22)15-10-23-16(21-15)8-14-6-7-18-11-20-14;21-17(19-11-13-6-2-1-3-7-13)15-12-22-16(20-15)10-14-8-4-5-9-18-14;21-17(19-11-14-4-2-1-3-5-14)15-12-22-16(20-15)10-13-6-8-18-9-7-13;21-16(18-9-12-4-2-1-3-5-12)14-10-22-15(20-14)8-13-6-7-17-11-19-13/h1-10,13H,11-12H2,(H,19,21);2-7,10-11H,8-9H2,1H3,(H,19,22);2*1-9,12H,10-11H2,(H,19,21);1-7,10-11H,8-9H2,(H,18,21).

What are the key properties of N-benzyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N,2-dibenzyl-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide?

N-benzyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N,2-dibenzyl-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 1561.98 g/mol, XLogP of 15.00, 25 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N,2-dibenzyl-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 159420920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).