lithium 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetate

C13H18LiN3O3S — CID 175454252

IUPAClithium 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetate
SMILESCC(=O)Nc1ncc(CN2CCC(CC(=O)[O-])CC2)s1.[Li+]
InChIInChI=1S/C13H19N3O3S.Li/c1-9(17)15-13-14-7-11(20-13)8-16-4-2-10(3-5-16)6-12(18)19;/h7,10H,2-6,8H2,1H3,(H,18,19)(H,14,15,17);/q;+1/p-1
InChIKeyFJRXQYYUCDPNQP-UHFFFAOYSA-M
MW303.31 g/mol
LogP-2.54
Rot. Bonds5

About lithium 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetate

lithium 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetate (PubChem CID 175454252) has the molecular formula C13H18LiN3O3S and a molecular weight of 303.31 g/mol. Its IUPAC name is lithium 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namelithium 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetate
PubChem CID175454252
Molecular FormulaC13H18LiN3O3S
Molecular Weight303.31 g/mol
Exact Mass303.12
IUPAC Namelithium 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetate
SMILESCC(=O)Nc1ncc(CN2CCC(CC(=O)[O-])CC2)s1.[Li+]
InChIInChI=1S/C13H19N3O3S.Li/c1-9(17)15-13-14-7-11(20-13)8-16-4-2-10(3-5-16)6-12(18)19;/h7,10H,2-6,8H2,1H3,(H,18,19)(H,14,15,17);/q;+1/p-1
InChIKeyFJRXQYYUCDPNQP-UHFFFAOYSA-M
XLogP-2.54
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 5-2.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze lithium 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetate?
The IUPAC name of lithium 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetate (CID 175454252) is lithium 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetate.
What is the SMILES notation for lithium 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetate?
The canonical SMILES for lithium 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetate is CC(=O)Nc1ncc(CN2CCC(CC(=O)[O-])CC2)s1.[Li+].
What is the InChIKey of lithium 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetate?
The InChIKey is FJRXQYYUCDPNQP-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H19N3O3S.Li/c1-9(17)15-13-14-7-11(20-13)8-16-4-2-10(3-5-16)6-12(18)19;/h7,10H,2-6,8H2,1H3,(H,18,19)(H,14,15,17);/q;+1/p-1.
What are the key properties of lithium 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetate?
lithium 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetate has a molecular weight of 303.31 g/mol, XLogP of -2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetate is sourced from PubChem (CID 175454252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).