methyl (3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

C14H18N2O5S — CID 11988742

IUPACmethyl (3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
SMILESCOC(=O)[C@@H]1CSc2ccc(NC(=O)OC(C)(C)C)c(=O)n21
InChIInChI=1S/C14H18N2O5S/c1-14(2,3)21-13(19)15-8-5-6-10-16(11(8)17)9(7-22-10)12(18)20-4/h5-6,9H,7H2,1-4H3,(H,15,19)/t9-/m0/s1
InChIKeyXXPDUDUCADWWPH-VIFPVBQESA-N
MW326.37 g/mol
LogP2.02
Rot. Bonds2

About methyl (3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

methyl (3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (PubChem CID 11988742) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is methyl (3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
PubChem CID11988742
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Namemethyl (3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
SMILESCOC(=O)[C@@H]1CSc2ccc(NC(=O)OC(C)(C)C)c(=O)n21
InChIInChI=1S/C14H18N2O5S/c1-14(2,3)21-13(19)15-8-5-6-10-16(11(8)17)9(7-22-10)12(18)20-4/h5-6,9H,7H2,1-4H3,(H,15,19)/t9-/m0/s1
InChIKeyXXPDUDUCADWWPH-VIFPVBQESA-N
XLogP2.02
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate with MolForge

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Related Compounds

tert-butyl N-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]carbamate
CID 137457794
(6S,8R)-8-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 178138655
tert-butyl N-[1-[(1S,2S)-2-(difluoromethyl)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]carbamate
CID 164555029
6-O-tert-butyl 3-O-methyl (3S)-8-acetyl-5-oxo-2,3-dihydro-1H-indolizine-3,6-dicarboxylate
CID 12041264
[3,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
CID 68785692
tert-butyl N-(7-cyclopent-3-en-1-yl-2-methyl-3-oxo-1H-isoindol-4-yl)carbamate
CID 86695308
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
methyl (3S,6R,7aR)-6-benzyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3,7,7a-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate
CID 24879924
tert-butyl N-[1-[(3R)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate
CID 137457508
tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 86720230
methyl (2S,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidine-2-carboxylate
CID 101237918
tert-butyl N-(7-bromo-1,3-benzodioxol-4-yl)carbamate
CID 166541090

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The IUPAC name of methyl (3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (CID 11988742) is methyl (3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl (3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The canonical SMILES for methyl (3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is COC(=O)[C@@H]1CSc2ccc(NC(=O)OC(C)(C)C)c(=O)n21.
What is the InChIKey of methyl (3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The InChIKey is XXPDUDUCADWWPH-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-14(2,3)21-13(19)15-8-5-6-10-16(11(8)17)9(7-22-10)12(18)20-4/h5-6,9H,7H2,1-4H3,(H,15,19)/t9-/m0/s1.
What are the key properties of methyl (3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
methyl (3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate has a molecular weight of 326.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 11988742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).