About tert-butyl N-[2-[[2-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]phenyl]methoxy]ethyl]-N-methylcarbamate
tert-butyl N-[2-[[2-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]phenyl]methoxy]ethyl]-N-methylcarbamate (PubChem CID 177213925) has the molecular formula C24H27FN4O4S
and a molecular weight of 486.57 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]phenyl]methoxy]ethyl]-N-methylcarbamate.
Molecular Properties
| Compound Name | tert-butyl N-[2-[[2-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]phenyl]methoxy]ethyl]-N-methylcarbamate |
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| PubChem CID | 177213925 |
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| Molecular Formula | C24H27FN4O4S |
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| Molecular Weight | 486.57 g/mol |
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| Exact Mass | 486.17 |
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| IUPAC Name | tert-butyl N-[2-[[2-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]phenyl]methoxy]ethyl]-N-methylcarbamate |
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| SMILES | CN(CCOCc1ccccc1-c1csc(NC(=O)c2ccc(F)cn2)n1)C(=O)OC(C)(C)C |
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| InChI | InChI=1S/C24H27FN4O4S/c1-24(2,3)33-23(31)29(4)11-12-32-14-16-7-5-6-8-18(16)20-15-34-22(27-20)28-21(30)19-10-9-17(25)13-26-19/h5-10,13,15H,11-12,14H2,1-4H3,(H,27,28,30) |
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| InChIKey | RTSMERHRBBNDKQ-UHFFFAOYSA-N |
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| XLogP | 4.98 |
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| TPSA | 93.65 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 486.57 |
| LogP ≤ 5 | 4.98 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tert-butyl N-[2-[[2-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]phenyl]methoxy]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[[2-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]phenyl]methoxy]ethyl]-N-methylcarbamate (CID 177213925) is tert-butyl N-[2-[[2-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]phenyl]methoxy]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]phenyl]methoxy]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[[2-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]phenyl]methoxy]ethyl]-N-methylcarbamate is CN(CCOCc1ccccc1-c1csc(NC(=O)c2ccc(F)cn2)n1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[2-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]phenyl]methoxy]ethyl]-N-methylcarbamate?
The InChIKey is RTSMERHRBBNDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-24(2,3)33-23(31)29(4)11-12-32-14-16-7-5-6-8-18(16)20-15-34-22(27-20)28-21(30)19-10-9-17(25)13-26-19/h5-10,13,15H,11-12,14H2,1-4H3,(H,27,28,30).
What are the key properties of tert-butyl N-[2-[[2-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]phenyl]methoxy]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[[2-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]phenyl]methoxy]ethyl]-N-methylcarbamate has a molecular weight of 486.57 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]phenyl]methoxy]ethyl]-N-methylcarbamate is sourced from PubChem (CID 177213925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).