4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid

C11H15ClN2O3S — CID 106587519

IUPAC4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCOCC1CCCN(c2nc(Cl)c(C(=O)O)s2)C1
InChIInChI=1S/C11H15ClN2O3S/c1-17-6-7-3-2-4-14(5-7)11-13-9(12)8(18-11)10(15)16/h7H,2-6H2,1H3,(H,15,16)
InChIKeyYLBPTRREMLBVKX-UHFFFAOYSA-N
MW290.77 g/mol
LogP2.36
Rot. Bonds4

About 4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid

4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 106587519) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID106587519
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCOCC1CCCN(c2nc(Cl)c(C(=O)O)s2)C1
InChIInChI=1S/C11H15ClN2O3S/c1-17-6-7-3-2-4-14(5-7)11-13-9(12)8(18-11)10(15)16/h7H,2-6H2,1H3,(H,15,16)
InChIKeyYLBPTRREMLBVKX-UHFFFAOYSA-N
XLogP2.36
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 107509470
4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 106589586
2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79392565
methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 80570547
methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569455
methyl 4-chloro-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 133279621
methyl 4-chloro-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate
CID 61224291
4-chloro-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 80688007
4-chloro-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 80688102
2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylic acid
CID 78979372
2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 106587160
2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-chloro-1,3-thiazole-5-carboxylic acid
CID 78979405

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 106587519) is 4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is COCC1CCCN(c2nc(Cl)c(C(=O)O)s2)C1.
What is the InChIKey of 4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is YLBPTRREMLBVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-17-6-7-3-2-4-14(5-7)11-13-9(12)8(18-11)10(15)16/h7H,2-6H2,1H3,(H,15,16).
What are the key properties of 4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 290.77 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 106587519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).