1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid;hydrochloride

C10H14Cl2N2O2S — CID 2768433

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C10H13ClN2O2S.ClH/c11-10-12-5-8(16-10)6-13-3-1-7(2-4-13)9(14)15;/h5,7H,1-4,6H2,(H,14,15);1H
InChIKeyAMBHKPHXADDJRT-UHFFFAOYSA-N
MW297.21 g/mol
LogP2.51
Rot. Bonds3

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid;hydrochloride

1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid;hydrochloride (PubChem CID 2768433) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid;hydrochloride
PubChem CID2768433
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C10H13ClN2O2S.ClH/c11-10-12-5-8(16-10)6-13-3-1-7(2-4-13)9(14)15;/h5,7H,1-4,6H2,(H,14,15);1H
InChIKeyAMBHKPHXADDJRT-UHFFFAOYSA-N
XLogP2.51
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid;hydrochloride (CID 2768433) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCN(Cc2cnc(Cl)s2)CC1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is AMBHKPHXADDJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S.ClH/c11-10-12-5-8(16-10)6-13-3-1-7(2-4-13)9(14)15;/h5,7H,1-4,6H2,(H,14,15);1H.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid;hydrochloride?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 297.21 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 2768433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).