N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-2-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

C18H22BrClN6OS — CID 51853176

About N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-2-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-2-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 51853176) has the molecular formula C18H22BrClN6OS and a molecular weight of 485.84 g/mol. Its IUPAC name is N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-2-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-2-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 51853176
• Molecular Formula: C18H22BrClN6OS
• Molecular Weight: 485.84 g/mol
• Exact Mass: 484.04
• IUPAC Name: N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-2-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc([C@H](C)Cn2cc(Cl)cn2)sc1C(=O)NCCn1nc(C)c(Br)c1C
• InChI: InChI=1S/C18H22BrClN6OS/c1-10(8-25-9-14(20)7-22-25)18-23-12(3)16(28-18)17(27)21-5-6-26-13(4)15(19)11(2)24-26/h7,9-10H,5-6,8H2,1-4H3,(H,21,27)/t10-/m1/s1
• InChIKey: YRWCKHVEYYCIEU-SNVBAGLBSA-N
• XLogP: 4.11
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.84
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-2-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-2-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 51853176) is N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-2-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-2-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-2-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc([C@H](C)Cn2cc(Cl)cn2)sc1C(=O)NCCn1nc(C)c(Br)c1C.

What is the InChIKey of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-2-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?

The InChIKey is YRWCKHVEYYCIEU-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H22BrClN6OS/c1-10(8-25-9-14(20)7-22-25)18-23-12(3)16(28-18)17(27)21-5-6-26-13(4)15(19)11(2)24-26/h7,9-10H,5-6,8H2,1-4H3,(H,21,27)/t10-/m1/s1.

What are the key properties of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-2-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?

N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-2-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 485.84 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-2-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51853176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).