[1-[4-[5-fluoro-2-[[2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]phenyl]-1,3-thiazol-2-yl]-2,2-dimethylpropyl]carbamic acid

C28H35FN6O4S2Si — CID 67469240

About [1-[4-[5-fluoro-2-[[2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]phenyl]-1,3-thiazol-2-yl]-2,2-dimethylpropyl]carbamic acid

[1-[4-[5-fluoro-2-[[2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]phenyl]-1,3-thiazol-2-yl]-2,2-dimethylpropyl]carbamic acid (PubChem CID 67469240) has the molecular formula C28H35FN6O4S2Si and a molecular weight of 630.84 g/mol. Its IUPAC name is [1-[4-[5-fluoro-2-[[2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]phenyl]-1,3-thiazol-2-yl]-2,2-dimethylpropyl]carbamic acid.

Molecular Properties

• Compound Name: [1-[4-[5-fluoro-2-[[2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]phenyl]-1,3-thiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
• PubChem CID: 67469240
• Molecular Formula: C28H35FN6O4S2Si
• Molecular Weight: 630.84 g/mol
• Exact Mass: 630.19
• IUPAC Name: [1-[4-[5-fluoro-2-[[2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]phenyl]-1,3-thiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
• SMILES: CC(C)(C)C(NC(=O)O)c1nc(-c2cc(F)ccc2NC(=O)c2csc(-c3cnn(COCC[Si](C)(C)C)c3)n2)cs1
• InChI: InChI=1S/C28H35FN6O4S2Si/c1-28(2,3)23(34-27(37)38)26-32-21(14-41-26)19-11-18(29)7-8-20(19)31-24(36)22-15-40-25(33-22)17-12-30-35(13-17)16-39-9-10-42(4,5)6/h7-8,11-15,23,34H,9-10,16H2,1-6H3,(H,31,36)(H,37,38)
• InChIKey: CTHBIBQLEKMGGV-UHFFFAOYSA-N
• XLogP: 7.19
• TPSA: 131.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.84
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[4-[5-fluoro-2-[[2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]phenyl]-1,3-thiazol-2-yl]-2,2-dimethylpropyl]carbamic acid?

The IUPAC name of [1-[4-[5-fluoro-2-[[2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]phenyl]-1,3-thiazol-2-yl]-2,2-dimethylpropyl]carbamic acid (CID 67469240) is [1-[4-[5-fluoro-2-[[2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]phenyl]-1,3-thiazol-2-yl]-2,2-dimethylpropyl]carbamic acid.

What is the SMILES notation for [1-[4-[5-fluoro-2-[[2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]phenyl]-1,3-thiazol-2-yl]-2,2-dimethylpropyl]carbamic acid?

The canonical SMILES for [1-[4-[5-fluoro-2-[[2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]phenyl]-1,3-thiazol-2-yl]-2,2-dimethylpropyl]carbamic acid is CC(C)(C)C(NC(=O)O)c1nc(-c2cc(F)ccc2NC(=O)c2csc(-c3cnn(COCC[Si](C)(C)C)c3)n2)cs1.

What is the InChIKey of [1-[4-[5-fluoro-2-[[2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]phenyl]-1,3-thiazol-2-yl]-2,2-dimethylpropyl]carbamic acid?

The InChIKey is CTHBIBQLEKMGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN6O4S2Si/c1-28(2,3)23(34-27(37)38)26-32-21(14-41-26)19-11-18(29)7-8-20(19)31-24(36)22-15-40-25(33-22)17-12-30-35(13-17)16-39-9-10-42(4,5)6/h7-8,11-15,23,34H,9-10,16H2,1-6H3,(H,31,36)(H,37,38).

What are the key properties of [1-[4-[5-fluoro-2-[[2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]phenyl]-1,3-thiazol-2-yl]-2,2-dimethylpropyl]carbamic acid?

[1-[4-[5-fluoro-2-[[2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]phenyl]-1,3-thiazol-2-yl]-2,2-dimethylpropyl]carbamic acid has a molecular weight of 630.84 g/mol, XLogP of 7.19, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-[5-fluoro-2-[[2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carbonyl]amino]phenyl]-1,3-thiazol-2-yl]-2,2-dimethylpropyl]carbamic acid is sourced from PubChem (CID 67469240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).