tert-butyl N-[[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3,4-dihydro-2H-chromen-7-yl]sulfonyl]-N-(1,3-thiazol-4-yl)carbamate

C23H33FN2O6S2Si — CID 140925058

About tert-butyl N-[[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3,4-dihydro-2H-chromen-7-yl]sulfonyl]-N-(1,3-thiazol-4-yl)carbamate

tert-butyl N-[[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3,4-dihydro-2H-chromen-7-yl]sulfonyl]-N-(1,3-thiazol-4-yl)carbamate (PubChem CID 140925058) has the molecular formula C23H33FN2O6S2Si and a molecular weight of 544.74 g/mol. Its IUPAC name is tert-butyl N-[[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3,4-dihydro-2H-chromen-7-yl]sulfonyl]-N-(1,3-thiazol-4-yl)carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3,4-dihydro-2H-chromen-7-yl]sulfonyl]-N-(1,3-thiazol-4-yl)carbamate
• PubChem CID: 140925058
• Molecular Formula: C23H33FN2O6S2Si
• Molecular Weight: 544.74 g/mol
• Exact Mass: 544.15
• IUPAC Name: tert-butyl N-[[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3,4-dihydro-2H-chromen-7-yl]sulfonyl]-N-(1,3-thiazol-4-yl)carbamate
• SMILES: CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1cc2c(cc1F)[C@H](O[Si](C)(C)C(C)(C)C)CCO2
• InChI: InChI=1S/C23H33FN2O6S2Si/c1-22(2,3)31-21(27)26(20-13-33-14-25-20)34(28,29)19-12-18-15(11-16(19)24)17(9-10-30-18)32-35(7,8)23(4,5)6/h11-14,17H,9-10H2,1-8H3/t17-/m1/s1
• InChIKey: KTBNCRXHWJJSKU-QGZVFWFLSA-N
• XLogP: 6.26
• TPSA: 95.03 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.74
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3,4-dihydro-2H-chromen-7-yl]sulfonyl]-N-(1,3-thiazol-4-yl)carbamate?

The IUPAC name of tert-butyl N-[[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3,4-dihydro-2H-chromen-7-yl]sulfonyl]-N-(1,3-thiazol-4-yl)carbamate (CID 140925058) is tert-butyl N-[[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3,4-dihydro-2H-chromen-7-yl]sulfonyl]-N-(1,3-thiazol-4-yl)carbamate.

What is the SMILES notation for tert-butyl N-[[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3,4-dihydro-2H-chromen-7-yl]sulfonyl]-N-(1,3-thiazol-4-yl)carbamate?

The canonical SMILES for tert-butyl N-[[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3,4-dihydro-2H-chromen-7-yl]sulfonyl]-N-(1,3-thiazol-4-yl)carbamate is CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1cc2c(cc1F)[C@H](O[Si](C)(C)C(C)(C)C)CCO2.

What is the InChIKey of tert-butyl N-[[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3,4-dihydro-2H-chromen-7-yl]sulfonyl]-N-(1,3-thiazol-4-yl)carbamate?

The InChIKey is KTBNCRXHWJJSKU-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H33FN2O6S2Si/c1-22(2,3)31-21(27)26(20-13-33-14-25-20)34(28,29)19-12-18-15(11-16(19)24)17(9-10-30-18)32-35(7,8)23(4,5)6/h11-14,17H,9-10H2,1-8H3/t17-/m1/s1.

What are the key properties of tert-butyl N-[[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3,4-dihydro-2H-chromen-7-yl]sulfonyl]-N-(1,3-thiazol-4-yl)carbamate?

tert-butyl N-[[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3,4-dihydro-2H-chromen-7-yl]sulfonyl]-N-(1,3-thiazol-4-yl)carbamate has a molecular weight of 544.74 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3,4-dihydro-2H-chromen-7-yl]sulfonyl]-N-(1,3-thiazol-4-yl)carbamate is sourced from PubChem (CID 140925058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).