2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

C23H21ClN6O3S — CID 16799409

About 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (PubChem CID 16799409) has the molecular formula C23H21ClN6O3S and a molecular weight of 496.98 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
• PubChem CID: 16799409
• Molecular Formula: C23H21ClN6O3S
• Molecular Weight: 496.98 g/mol
• Exact Mass: 496.11
• IUPAC Name: 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
• SMILES: Cc1c(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c(=O)n(-c2ccccc2)n1C
• InChI: InChI=1S/C23H21ClN6O3S/c1-14-20(21(32)30(29(14)2)18-9-4-3-5-10-18)27-19(31)12-17-13-34-23(26-17)28-22(33)25-16-8-6-7-15(24)11-16/h3-11,13H,12H2,1-2H3,(H,27,31)(H2,25,26,28,33)
• InChIKey: DPPOKUWGKIRJIG-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 110.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.98
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?

The IUPAC name of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (CID 16799409) is 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.

What is the SMILES notation for 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?

The canonical SMILES for 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is Cc1c(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c(=O)n(-c2ccccc2)n1C.

What is the InChIKey of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?

The InChIKey is DPPOKUWGKIRJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O3S/c1-14-20(21(32)30(29(14)2)18-9-4-3-5-10-18)27-19(31)12-17-13-34-23(26-17)28-22(33)25-16-8-6-7-15(24)11-16/h3-11,13H,12H2,1-2H3,(H,27,31)(H2,25,26,28,33).

What are the key properties of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?

2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide has a molecular weight of 496.98 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 16799409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).