lithium 6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate

C12H15LiN2O4S — CID 23674321

IUPAClithium 6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1Cc2nc(C(=O)[O-])sc2CN1.[Li+]
InChIInChI=1S/C12H16N2O4S.Li/c1-12(2,3)18-11(17)7-4-6-8(5-13-7)19-9(14-6)10(15)16;/h7,13H,4-5H2,1-3H3,(H,15,16);/q;+1/p-1
InChIKeyZBYPSHALQMRUDM-UHFFFAOYSA-M
MW290.27 g/mol
LogP-3.13
Rot. Bonds2

About lithium 6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate

lithium 6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate (PubChem CID 23674321) has the molecular formula C12H15LiN2O4S and a molecular weight of 290.27 g/mol. Its IUPAC name is lithium 6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namelithium 6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
PubChem CID23674321
Molecular FormulaC12H15LiN2O4S
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Namelithium 6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1Cc2nc(C(=O)[O-])sc2CN1.[Li+]
InChIInChI=1S/C12H16N2O4S.Li/c1-12(2,3)18-11(17)7-4-6-8(5-13-7)19-9(14-6)10(15)16;/h7,13H,4-5H2,1-3H3,(H,15,16);/q;+1/p-1
InChIKeyZBYPSHALQMRUDM-UHFFFAOYSA-M
XLogP-3.13
TPSA91.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-3.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze lithium 6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate with MolForge

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Related Compounds

tert-butyl (6S)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate
CID 86308088
4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 86592092
tert-butyl 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazine-1-carbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate
CID 22711303
tert-butyl 4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-7-carboxylate
CID 142790051
tert-butyl 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-2-(2-piperidin-1-ylethyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate
CID 22710945
tert-butyl 5-oxopiperazine-2-carboxylate
CID 103846290
6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylic acid
CID 174680011
tert-butyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 74600462
tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
tert-butyl 1,3-oxazolidine-4-carboxylate
CID 139927361
tert-butyl 3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate
CID 91662912
lithium 4-thia-1,6,9-triazatricyclo[7.3.0.03,7]dodeca-3(7),5-diene-5-carboxylate
CID 23688406

Frequently Asked Questions

What is the IUPAC name of lithium 6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
The IUPAC name of lithium 6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate (CID 23674321) is lithium 6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate.
What is the SMILES notation for lithium 6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
The canonical SMILES for lithium 6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate is CC(C)(C)OC(=O)C1Cc2nc(C(=O)[O-])sc2CN1.[Li+].
What is the InChIKey of lithium 6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
The InChIKey is ZBYPSHALQMRUDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H16N2O4S.Li/c1-12(2,3)18-11(17)7-4-6-8(5-13-7)19-9(14-6)10(15)16;/h7,13H,4-5H2,1-3H3,(H,15,16);/q;+1/p-1.
What are the key properties of lithium 6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
lithium 6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate has a molecular weight of 290.27 g/mol, XLogP of -3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate is sourced from PubChem (CID 23674321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).