1-(2-chlorophenyl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C19H16ClF2N5O2S — CID 24626207

About 1-(2-chlorophenyl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

1-(2-chlorophenyl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 24626207) has the molecular formula C19H16ClF2N5O2S and a molecular weight of 451.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 24626207
• Molecular Formula: C19H16ClF2N5O2S
• Molecular Weight: 451.89 g/mol
• Exact Mass: 451.07
• IUPAC Name: 1-(2-chlorophenyl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
• SMILES: Cc1nc(NC(=O)C2CC(=O)N(c3ccccc3Cl)C2)sc1-c1nccn1C(F)F
• InChI: InChI=1S/C19H16ClF2N5O2S/c1-10-15(16-23-6-7-26(16)18(21)22)30-19(24-10)25-17(29)11-8-14(28)27(9-11)13-5-3-2-4-12(13)20/h2-7,11,18H,8-9H2,1H3,(H,24,25,29)
• InChIKey: NVHRPOZTQKTJHF-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.89
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-(2-chlorophenyl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 24626207) is 1-(2-chlorophenyl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(2-chlorophenyl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-(2-chlorophenyl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is Cc1nc(NC(=O)C2CC(=O)N(c3ccccc3Cl)C2)sc1-c1nccn1C(F)F.

What is the InChIKey of 1-(2-chlorophenyl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is NVHRPOZTQKTJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N5O2S/c1-10-15(16-23-6-7-26(16)18(21)22)30-19(24-10)25-17(29)11-8-14(28)27(9-11)13-5-3-2-4-12(13)20/h2-7,11,18H,8-9H2,1H3,(H,24,25,29).

What are the key properties of 1-(2-chlorophenyl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?

1-(2-chlorophenyl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 451.89 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24626207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).