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

C10H13ClN2O2S — CID 71649579

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C10H13ClN2O2S/c11-10-12-5-7(16-10)6-13-4-2-1-3-8(13)9(14)15/h5,8H,1-4,6H2,(H,14,15)
InChIKeyLAUGOWYOJLFXRM-UHFFFAOYSA-N
MW260.75 g/mol
LogP2.24
Rot. Bonds3

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

1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 71649579) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid
PubChem CID71649579
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C10H13ClN2O2S/c11-10-12-5-7(16-10)6-13-4-2-1-3-8(13)9(14)15/h5,8H,1-4,6H2,(H,14,15)
InChIKeyLAUGOWYOJLFXRM-UHFFFAOYSA-N
XLogP2.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid
CID 122040351
(2R)-1-[(3-chloropyrazin-2-yl)methyl]piperidine-2-carboxylic acid
CID 97169176
1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid
CID 122036431
(2R)-1-[(2,5-dichlorothiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 122038253
(2S)-1-[[5-(4-chlorobenzoyl)thiophen-2-yl]methyl]piperidine-2-carboxylic acid
CID 51547671
(2R)-1-[[5-(4-chlorobenzoyl)thiophen-2-yl]methyl]piperidine-2-carboxylic acid
CID 51547673
(2S)-1-[(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 51441049
1-[(5-phenylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 122040447
1-(pyridin-4-ylmethyl)azepane-2-carboxylic acid
CID 64562578
(2S)-1-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid
CID 164610990
5-[(2S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129337148
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid (CID 71649579) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1Cc1cnc(Cl)s1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is LAUGOWYOJLFXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c11-10-12-5-7(16-10)6-13-4-2-1-3-8(13)9(14)15/h5,8H,1-4,6H2,(H,14,15).
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 260.75 g/mol, XLogP of 2.24, 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-2-carboxylic acid is sourced from PubChem (CID 71649579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).