lithium 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate

C10H13LiN2O2S — CID 23694155

IUPAClithium 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate
SMILESCC(C)N1CCc2sc(C(=O)[O-])nc2C1.[Li+]
InChIInChI=1S/C10H14N2O2S.Li/c1-6(2)12-4-3-8-7(5-12)11-9(15-8)10(13)14;/h6H,3-5H2,1-2H3,(H,13,14);/q;+1/p-1
InChIKeyTWBJPTBXIQHDIA-UHFFFAOYSA-M
MW232.23 g/mol
LogP-2.72
Rot. Bonds2

About lithium 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate

lithium 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate (PubChem CID 23694155) has the molecular formula C10H13LiN2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is lithium 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namelithium 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate
PubChem CID23694155
Molecular FormulaC10H13LiN2O2S
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Namelithium 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate
SMILESCC(C)N1CCc2sc(C(=O)[O-])nc2C1.[Li+]
InChIInChI=1S/C10H14N2O2S.Li/c1-6(2)12-4-3-8-7(5-12)11-9(15-8)10(13)14;/h6H,3-5H2,1-2H3,(H,13,14);/q;+1/p-1
InChIKeyTWBJPTBXIQHDIA-UHFFFAOYSA-M
XLogP-2.72
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-2.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate?
The IUPAC name of lithium 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate (CID 23694155) is lithium 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate.
What is the SMILES notation for lithium 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate?
The canonical SMILES for lithium 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate is CC(C)N1CCc2sc(C(=O)[O-])nc2C1.[Li+].
What is the InChIKey of lithium 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate?
The InChIKey is TWBJPTBXIQHDIA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14N2O2S.Li/c1-6(2)12-4-3-8-7(5-12)11-9(15-8)10(13)14;/h6H,3-5H2,1-2H3,(H,13,14);/q;+1/p-1.
What are the key properties of lithium 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate?
lithium 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate has a molecular weight of 232.23 g/mol, XLogP of -2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate is sourced from PubChem (CID 23694155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).