N,N-dimethyl-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide

C27H26N6O6S — CID 88593949

About N,N-dimethyl-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide

N,N-dimethyl-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 88593949) has the molecular formula C27H26N6O6S and a molecular weight of 562.61 g/mol. Its IUPAC name is N,N-dimethyl-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide
• PubChem CID: 88593949
• Molecular Formula: C27H26N6O6S
• Molecular Weight: 562.61 g/mol
• Exact Mass: 562.16
• IUPAC Name: N,N-dimethyl-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide
• SMILES: Cc1nnc(-c2ccc(Oc3cc(OC4CCN(C)C4=O)cc(C(=O)Nc4nc(C(=O)N(C)C)cs4)c3)cc2)o1
• InChI: InChI=1S/C27H26N6O6S/c1-15-30-31-24(37-15)16-5-7-18(8-6-16)38-19-11-17(12-20(13-19)39-22-9-10-33(4)26(22)36)23(34)29-27-28-21(14-40-27)25(35)32(2)3/h5-8,11-14,22H,9-10H2,1-4H3,(H,28,29,34)
• InChIKey: JPMQXYXJOPNLPJ-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 139.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.61
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide?

The IUPAC name of N,N-dimethyl-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide (CID 88593949) is N,N-dimethyl-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N,N-dimethyl-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N,N-dimethyl-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide is Cc1nnc(-c2ccc(Oc3cc(OC4CCN(C)C4=O)cc(C(=O)Nc4nc(C(=O)N(C)C)cs4)c3)cc2)o1.

What is the InChIKey of N,N-dimethyl-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide?

The InChIKey is JPMQXYXJOPNLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O6S/c1-15-30-31-24(37-15)16-5-7-18(8-6-16)38-19-11-17(12-20(13-19)39-22-9-10-33(4)26(22)36)23(34)29-27-28-21(14-40-27)25(35)32(2)3/h5-8,11-14,22H,9-10H2,1-4H3,(H,28,29,34).

What are the key properties of N,N-dimethyl-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide?

N,N-dimethyl-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 562.61 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 88593949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).