4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide

C25H29N5O5S — CID 25457948

About 4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 25457948) has the molecular formula C25H29N5O5S and a molecular weight of 511.60 g/mol. Its IUPAC name is 4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
• PubChem CID: 25457948
• Molecular Formula: C25H29N5O5S
• Molecular Weight: 511.60 g/mol
• Exact Mass: 511.19
• IUPAC Name: 4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
• SMILES: Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)c1
• InChI: InChI=1S/C25H29N5O5S/c1-13-6-7-14(2)17(11-13)30(25(33)22-19(26)20(23(27)31)29-36-22)21(18-9-8-15(3)35-18)24(32)28-12-16-5-4-10-34-16/h6-9,11,16,21H,4-5,10,12,26H2,1-3H3,(H2,27,31)(H,28,32)/t16-,21-/m1/s1
• InChIKey: YGKZWRWUJKIYHD-IIBYNOLFSA-N
• XLogP: 3.03
• TPSA: 153.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.60
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide?

The IUPAC name of 4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide (CID 25457948) is 4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide.

What is the SMILES notation for 4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide?

The canonical SMILES for 4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide is Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)c1.

What is the InChIKey of 4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide?

The InChIKey is YGKZWRWUJKIYHD-IIBYNOLFSA-N. The full InChI is InChI=1S/C25H29N5O5S/c1-13-6-7-14(2)17(11-13)30(25(33)22-19(26)20(23(27)31)29-36-22)21(18-9-8-15(3)35-18)24(32)28-12-16-5-4-10-34-16/h6-9,11,16,21H,4-5,10,12,26H2,1-3H3,(H2,27,31)(H,28,32)/t16-,21-/m1/s1.

What are the key properties of 4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide?

4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 511.60 g/mol, XLogP of 3.03, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 25457948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).