1,1-dimethylsilepan-4-amine;N-(1,1-dimethylsilepan-4-yl)-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4S)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4R)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid

C80H102N12O5S4Si4 — CID 167541621

About 1,1-dimethylsilepan-4-amine;N-(1,1-dimethylsilepan-4-yl)-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4S)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4R)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid

1,1-dimethylsilepan-4-amine;N-(1,1-dimethylsilepan-4-yl)-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4S)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4R)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid (PubChem CID 167541621) has the molecular formula C80H102N12O5S4Si4 and a molecular weight of 1552.39 g/mol. Its IUPAC name is 1,1-dimethylsilepan-4-amine;N-(1,1-dimethylsilepan-4-yl)-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4S)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4R)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 1,1-dimethylsilepan-4-amine;N-(1,1-dimethylsilepan-4-yl)-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4S)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4R)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
• PubChem CID: 167541621
• Molecular Formula: C80H102N12O5S4Si4
• Molecular Weight: 1552.39 g/mol
• Exact Mass: 1550.61
• IUPAC Name: 1,1-dimethylsilepan-4-amine;N-(1,1-dimethylsilepan-4-yl)-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4S)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4R)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
• SMILES: C[Si]1(C)CCCC(N)CC1.C[Si]1(C)CCCC(NC(=O)c2cc3sc(-c4ccccc4)nc3[nH]2)CC1.C[Si]1(C)CCC[C@@H](NC(=O)c2cc3sc(-c4ccccc4)nc3[nH]2)CC1.C[Si]1(C)CCC[C@H](NC(=O)c2cc3sc(-c4ccccc4)nc3[nH]2)CC1.O=C(O)c1cc2sc(-c3ccccc3)nc2[nH]1
• InChI: InChI=1S/3C20H25N3OSSi.C12H8N2O2S.C8H19NSi/c3*1-26(2)11-6-9-15(10-12-26)21-19(24)16-13-17-18(22-16)23-20(25-17)14-7-4-3-5-8-14;15-12(16)8-6-9-10(13-8)14-11(17-9)7-4-2-1-3-5-7;1-10(2)6-3-4-8(9)5-7-10/h3*3-5,7-8,13,15,22H,6,9-12H2,1-2H3,(H,21,24);1-6,13H,(H,15,16);8H,3-7,9H2,1-2H3/t2*15-;;;/m10.../s1
• InChIKey: BGPRKUBOYGTBFQ-LEHZRZNWSA-N
• XLogP: 21.04
• TPSA: 265.34 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1552.39
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylsilepan-4-amine;N-(1,1-dimethylsilepan-4-yl)-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4S)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4R)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?

The IUPAC name of 1,1-dimethylsilepan-4-amine;N-(1,1-dimethylsilepan-4-yl)-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4S)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4R)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid (CID 167541621) is 1,1-dimethylsilepan-4-amine;N-(1,1-dimethylsilepan-4-yl)-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4S)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4R)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid.

What is the SMILES notation for 1,1-dimethylsilepan-4-amine;N-(1,1-dimethylsilepan-4-yl)-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4S)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4R)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?

The canonical SMILES for 1,1-dimethylsilepan-4-amine;N-(1,1-dimethylsilepan-4-yl)-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4S)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4R)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid is C[Si]1(C)CCCC(N)CC1.C[Si]1(C)CCCC(NC(=O)c2cc3sc(-c4ccccc4)nc3[nH]2)CC1.C[Si]1(C)CCC[C@@H](NC(=O)c2cc3sc(-c4ccccc4)nc3[nH]2)CC1.C[Si]1(C)CCC[C@H](NC(=O)c2cc3sc(-c4ccccc4)nc3[nH]2)CC1.O=C(O)c1cc2sc(-c3ccccc3)nc2[nH]1.

What is the InChIKey of 1,1-dimethylsilepan-4-amine;N-(1,1-dimethylsilepan-4-yl)-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4S)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4R)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?

The InChIKey is BGPRKUBOYGTBFQ-LEHZRZNWSA-N. The full InChI is InChI=1S/3C20H25N3OSSi.C12H8N2O2S.C8H19NSi/c3*1-26(2)11-6-9-15(10-12-26)21-19(24)16-13-17-18(22-16)23-20(25-17)14-7-4-3-5-8-14;15-12(16)8-6-9-10(13-8)14-11(17-9)7-4-2-1-3-5-7;1-10(2)6-3-4-8(9)5-7-10/h3*3-5,7-8,13,15,22H,6,9-12H2,1-2H3,(H,21,24);1-6,13H,(H,15,16);8H,3-7,9H2,1-2H3/t2*15-;;;/m10.../s1.

What are the key properties of 1,1-dimethylsilepan-4-amine;N-(1,1-dimethylsilepan-4-yl)-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4S)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4R)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?

1,1-dimethylsilepan-4-amine;N-(1,1-dimethylsilepan-4-yl)-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4S)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4R)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid has a molecular weight of 1552.39 g/mol, XLogP of 21.04, 11 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-dimethylsilepan-4-amine;N-(1,1-dimethylsilepan-4-yl)-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4S)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4R)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 167541621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).