4-[(5-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole-2-carboxylic acid

C10H7ClN2O3S — CID 64600945

IUPAC4-[(5-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(COc2cncc(Cl)c2)cs1
InChIInChI=1S/C10H7ClN2O3S/c11-6-1-8(3-12-2-6)16-4-7-5-17-9(13-7)10(14)15/h1-3,5H,4H2,(H,14,15)
InChIKeyJYPYXTMXTZJXPY-UHFFFAOYSA-N
MW270.70 g/mol
LogP2.47
Rot. Bonds4

About 4-[(5-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole-2-carboxylic acid

4-[(5-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 64600945) has the molecular formula C10H7ClN2O3S and a molecular weight of 270.70 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole-2-carboxylic acid
PubChem CID64600945
Molecular FormulaC10H7ClN2O3S
Molecular Weight270.70 g/mol
Exact Mass269.99
IUPAC Name4-[(5-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(COc2cncc(Cl)c2)cs1
InChIInChI=1S/C10H7ClN2O3S/c11-6-1-8(3-12-2-6)16-4-7-5-17-9(13-7)10(14)15/h1-3,5H,4H2,(H,14,15)
InChIKeyJYPYXTMXTZJXPY-UHFFFAOYSA-N
XLogP2.47
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.70
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-difluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 62785193
4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 114267798
4-[(4-bromo-2-chlorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664287
4-[(4-bromo-3-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 65203970
4-[(4-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664197
4-[(3-acetamidophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664317
4-[(3-methylsulfonylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43806800
5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 63851176
4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664330
4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid
CID 106698444
4-[(4-methoxy-3-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 103201513
4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole-2-carboxylic acid (CID 64600945) is 4-[(5-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(COc2cncc(Cl)c2)cs1.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is JYPYXTMXTZJXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3S/c11-6-1-8(3-12-2-6)16-4-7-5-17-9(13-7)10(14)15/h1-3,5H,4H2,(H,14,15).
What are the key properties of 4-[(5-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole-2-carboxylic acid?
4-[(5-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 270.70 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 64600945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).