tert-butyl (3R,4S)-3-fluoro-4-hydroxy-4-(7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)piperidine-1-carboxylate

C16H20FN3O5S — CID 170672384

IUPACtert-butyl (3R,4S)-3-fluoro-4-hydroxy-4-(7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@](O)(c2cn3c(=O)cc(O)nc3s2)[C@H](F)C1
InChIInChI=1S/C16H20FN3O5S/c1-15(2,3)25-14(23)19-5-4-16(24,9(17)7-19)10-8-20-12(22)6-11(21)18-13(20)26-10/h6,8-9,21,24H,4-5,7H2,1-3H3/t9-,16+/m1/s1
InChIKeyWEUYEQOJVHKLBS-ABKXIKBNSA-N
MW385.42 g/mol
LogP1.63
Rot. Bonds1

About tert-butyl (3R,4S)-3-fluoro-4-hydroxy-4-(7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)piperidine-1-carboxylate

tert-butyl (3R,4S)-3-fluoro-4-hydroxy-4-(7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)piperidine-1-carboxylate (PubChem CID 170672384) has the molecular formula C16H20FN3O5S and a molecular weight of 385.42 g/mol. Its IUPAC name is tert-butyl (3R,4S)-3-fluoro-4-hydroxy-4-(7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4S)-3-fluoro-4-hydroxy-4-(7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)piperidine-1-carboxylate
PubChem CID170672384
Molecular FormulaC16H20FN3O5S
Molecular Weight385.42 g/mol
Exact Mass385.11
IUPAC Nametert-butyl (3R,4S)-3-fluoro-4-hydroxy-4-(7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@](O)(c2cn3c(=O)cc(O)nc3s2)[C@H](F)C1
InChIInChI=1S/C16H20FN3O5S/c1-15(2,3)25-14(23)19-5-4-16(24,9(17)7-19)10-8-20-12(22)6-11(21)18-13(20)26-10/h6,8-9,21,24H,4-5,7H2,1-3H3/t9-,16+/m1/s1
InChIKeyWEUYEQOJVHKLBS-ABKXIKBNSA-N
XLogP1.63
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl (3R,4S)-3-fluoro-4-hydroxy-4-(7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-fluoro-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
CID 129320024
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CID 118668070
tert-butyl (3S,4R)-4-(aminomethyl)-3-fluoro-4-methylpiperidine-1-carboxylate
CID 99770654
tert-butyl (3S,4R)-4-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl]-3-fluoropiperidine-1-carboxylate
CID 170553818
tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate
CID 20870871
tert-butyl 6-fluoro-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 90176680
tert-butyl (5R,6R)-6-fluoro-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;tert-butyl (5S,6R)-6-fluoro-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 159222803
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CID 90183866
tert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate
CID 169178838
tert-butyl 4,4-difluoro-3-[5-oxo-4-(1,2,2-trifluoroethyl)pyrazin-2-yl]piperidine-1-carboxylate
CID 175468382
tert-butyl (3S,4R)-4-hydroxy-3,4-dimethylazepane-1-carboxylate
CID 124523450
tert-butyl 2-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 165126312

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4S)-3-fluoro-4-hydroxy-4-(7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4S)-3-fluoro-4-hydroxy-4-(7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)piperidine-1-carboxylate (CID 170672384) is tert-butyl (3R,4S)-3-fluoro-4-hydroxy-4-(7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4S)-3-fluoro-4-hydroxy-4-(7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4S)-3-fluoro-4-hydroxy-4-(7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@](O)(c2cn3c(=O)cc(O)nc3s2)[C@H](F)C1.
What is the InChIKey of tert-butyl (3R,4S)-3-fluoro-4-hydroxy-4-(7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)piperidine-1-carboxylate?
The InChIKey is WEUYEQOJVHKLBS-ABKXIKBNSA-N. The full InChI is InChI=1S/C16H20FN3O5S/c1-15(2,3)25-14(23)19-5-4-16(24,9(17)7-19)10-8-20-12(22)6-11(21)18-13(20)26-10/h6,8-9,21,24H,4-5,7H2,1-3H3/t9-,16+/m1/s1.
What are the key properties of tert-butyl (3R,4S)-3-fluoro-4-hydroxy-4-(7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)piperidine-1-carboxylate?
tert-butyl (3R,4S)-3-fluoro-4-hydroxy-4-(7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)piperidine-1-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4S)-3-fluoro-4-hydroxy-4-(7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 170672384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).