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

C10H13ClN2O2S — CID 1482109

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C10H13ClN2O2S/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)
InChIKeyNQKKTUXHFWPWJE-UHFFFAOYSA-N
MW260.75 g/mol
LogP2.09
Rot. Bonds3

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

1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 1482109) 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-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
PubChem CID1482109
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C10H13ClN2O2S/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)
InChIKeyNQKKTUXHFWPWJE-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic Acid Hydrochloride
CID 2768433
4-[3-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-oxo-1,3-diazinan-1-yl]butanoic acid
CID 58761589
(2S)-4-[methyl(1,3-thiazol-5-ylmethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 89929961
1-[[2-(Methylcarbamoyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid
CID 171489793
Lithium 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate
CID 175454245
Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate
CID 2764176
Methyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-piperidinecarboxylate
CID 2764403
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate
CID 6986965
2-[1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]acetic acid
CID 55145023
(1-((2-Chlorothiazol-5-yl)methyl)piperidin-4-yl)methanol
CID 60137393
1-[Methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]piperidine-4-carboxylic acid
CID 60951603
1-[(2-Methyl-1,3-thiazol-5-yl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 61280824

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid (CID 1482109) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid is 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?
The InChIKey is NQKKTUXHFWPWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/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).
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 260.75 g/mol, XLogP of 2.09, 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 is sourced from PubChem (CID 1482109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).