lithium 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate

C10H14LiN3O2S — CID 175454245

IUPAClithium 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate
SMILESNc1ncc(CN2CCC(C(=O)[O-])CC2)s1.[Li+]
InChIInChI=1S/C10H15N3O2S.Li/c11-10-12-5-8(16-10)6-13-3-1-7(2-4-13)9(14)15;/h5,7H,1-4,6H2,(H2,11,12)(H,14,15);/q;+1/p-1
InChIKeyRKRAHQNEJAWULU-UHFFFAOYSA-M
MW247.25 g/mol
LogP-3.31
Rot. Bonds3

About lithium 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate

lithium 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate (PubChem CID 175454245) has the molecular formula C10H14LiN3O2S and a molecular weight of 247.25 g/mol. Its IUPAC name is lithium 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namelithium 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate
PubChem CID175454245
Molecular FormulaC10H14LiN3O2S
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Namelithium 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate
SMILESNc1ncc(CN2CCC(C(=O)[O-])CC2)s1.[Li+]
InChIInChI=1S/C10H15N3O2S.Li/c11-10-12-5-8(16-10)6-13-3-1-7(2-4-13)9(14)15;/h5,7H,1-4,6H2,(H2,11,12)(H,14,15);/q;+1/p-1
InChIKeyRKRAHQNEJAWULU-UHFFFAOYSA-M
XLogP-3.31
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-3.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of lithium 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of lithium 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate (CID 175454245) is lithium 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for lithium 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for lithium 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate is Nc1ncc(CN2CCC(C(=O)[O-])CC2)s1.[Li+].
What is the InChIKey of lithium 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate?
The InChIKey is RKRAHQNEJAWULU-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15N3O2S.Li/c11-10-12-5-8(16-10)6-13-3-1-7(2-4-13)9(14)15;/h5,7H,1-4,6H2,(H2,11,12)(H,14,15);/q;+1/p-1.
What are the key properties of lithium 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate?
lithium 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate has a molecular weight of 247.25 g/mol, XLogP of -3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 175454245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).