methyl 2-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C20H15ClN4O4S — CID 55519428

About methyl 2-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 55519428) has the molecular formula C20H15ClN4O4S and a molecular weight of 442.88 g/mol. Its IUPAC name is methyl 2-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
• PubChem CID: 55519428
• Molecular Formula: C20H15ClN4O4S
• Molecular Weight: 442.88 g/mol
• Exact Mass: 442.05
• IUPAC Name: methyl 2-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
• SMILES: COC(=O)c1sc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)nc1C
• InChI: InChI=1S/C20H15ClN4O4S/c1-11-17(19(27)28-2)30-20(22-11)23-18(26)14-10-15(16-7-4-8-29-16)25(24-14)13-6-3-5-12(21)9-13/h3-10H,1-2H3,(H,22,23,26)
• InChIKey: QJGQDNFGRXFZII-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 99.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.88
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

The IUPAC name of methyl 2-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 55519428) is methyl 2-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

What is the SMILES notation for methyl 2-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

The canonical SMILES for methyl 2-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)nc1C.

What is the InChIKey of methyl 2-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

The InChIKey is QJGQDNFGRXFZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O4S/c1-11-17(19(27)28-2)30-20(22-11)23-18(26)14-10-15(16-7-4-8-29-16)25(24-14)13-6-3-5-12(21)9-13/h3-10H,1-2H3,(H,22,23,26).

What are the key properties of methyl 2-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

methyl 2-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 442.88 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 55519428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).