2-[6-[2-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole-4-carboxylic acid

C24H28N4O6S2 — CID 146313590

About 2-[6-[2-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole-4-carboxylic acid

2-[6-[2-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 146313590) has the molecular formula C24H28N4O6S2 and a molecular weight of 532.64 g/mol. Its IUPAC name is 2-[6-[2-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[6-[2-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole-4-carboxylic acid
• PubChem CID: 146313590
• Molecular Formula: C24H28N4O6S2
• Molecular Weight: 532.64 g/mol
• Exact Mass: 532.15
• IUPAC Name: 2-[6-[2-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole-4-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1nc(-c2ccc(-c3nc(C(=O)O)cs3)cn2)cs1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C24H28N4O6S2/c1-23(2,3)33-21(31)15(28-22(32)34-24(4,5)6)9-18-26-16(11-35-18)14-8-7-13(10-25-14)19-27-17(12-36-19)20(29)30/h7-8,10-12,15H,9H2,1-6H3,(H,28,32)(H,29,30)/t15-/m0/s1
• InChIKey: BYBPVVKFVXZESB-HNNXBMFYSA-N
• XLogP: 4.80
• TPSA: 140.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.64
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole-4-carboxylic acid?

The IUPAC name of 2-[6-[2-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole-4-carboxylic acid (CID 146313590) is 2-[6-[2-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole-4-carboxylic acid.

What is the SMILES notation for 2-[6-[2-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole-4-carboxylic acid?

The canonical SMILES for 2-[6-[2-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole-4-carboxylic acid is CC(C)(C)OC(=O)N[C@@H](Cc1nc(-c2ccc(-c3nc(C(=O)O)cs3)cn2)cs1)C(=O)OC(C)(C)C.

What is the InChIKey of 2-[6-[2-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole-4-carboxylic acid?

The InChIKey is BYBPVVKFVXZESB-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H28N4O6S2/c1-23(2,3)33-21(31)15(28-22(32)34-24(4,5)6)9-18-26-16(11-35-18)14-8-7-13(10-25-14)19-27-17(12-36-19)20(29)30/h7-8,10-12,15H,9H2,1-6H3,(H,28,32)(H,29,30)/t15-/m0/s1.

What are the key properties of 2-[6-[2-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole-4-carboxylic acid?

2-[6-[2-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 532.64 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 146313590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).