lithium 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate

C9H11LiN2O2S — CID 67115305

IUPAClithium 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate
SMILESO=C([O-])C1CCN(c2nccs2)CC1.[Li+]
InChIInChI=1S/C9H12N2O2S.Li/c12-8(13)7-1-4-11(5-2-7)9-10-3-6-14-9;/h3,6-7H,1-2,4-5H2,(H,12,13);/q;+1/p-1
InChIKeyYBQXDNKLPZLFHI-UHFFFAOYSA-M
MW218.21 g/mol
LogP-2.89
Rot. Bonds2

About lithium 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate

lithium 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate (PubChem CID 67115305) has the molecular formula C9H11LiN2O2S and a molecular weight of 218.21 g/mol. Its IUPAC name is lithium 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namelithium 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate
PubChem CID67115305
Molecular FormulaC9H11LiN2O2S
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namelithium 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate
SMILESO=C([O-])C1CCN(c2nccs2)CC1.[Li+]
InChIInChI=1S/C9H12N2O2S.Li/c12-8(13)7-1-4-11(5-2-7)9-10-3-6-14-9;/h3,6-7H,1-2,4-5H2,(H,12,13);/q;+1/p-1
InChIKeyYBQXDNKLPZLFHI-UHFFFAOYSA-M
XLogP-2.89
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-2.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-Thiazol-2-yl)piperidine-4-carboxylic acid
CID 7131626
1-(1,3-Thiazol-2-yl)piperidine-3-carboxylic acid
CID 16783065
1-(1,3-Thiazol-2-yl)piperidin-4-one
CID 18726960
1-(1,3-Thiazol-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 54593164
N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17948059
N-methyl-N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110723375
ethyl (3S)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylate
CID 53663766
2-(4-Methylpiperidin-1-yl)-1,3-thiazole
CID 54051634
Ethyl 1-(thiazol-2-yl)piperidine-4-carboxylate
CID 60658779
Methyl 1-(thiazol-2-yl)piperidine-4-carboxylate
CID 60658785
(1-(Thiazol-2-yl)piperidin-4-yl)methanol
CID 60964790
1-(1,3-Thiazol-2-yl)piperidine-4-carbaldehyde
CID 62663441

Frequently Asked Questions

What is the IUPAC name of lithium 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate?
The IUPAC name of lithium 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate (CID 67115305) is lithium 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for lithium 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate?
The canonical SMILES for lithium 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate is O=C([O-])C1CCN(c2nccs2)CC1.[Li+].
What is the InChIKey of lithium 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate?
The InChIKey is YBQXDNKLPZLFHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12N2O2S.Li/c12-8(13)7-1-4-11(5-2-7)9-10-3-6-14-9;/h3,6-7H,1-2,4-5H2,(H,12,13);/q;+1/p-1.
What are the key properties of lithium 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate?
lithium 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate has a molecular weight of 218.21 g/mol, XLogP of -2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(1,3-thiazol-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 67115305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).