methyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate

C11H9ClN2O2S — CID 103442928

IUPACmethyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(-c2ncccc2Cl)n1
InChIInChI=1S/C11H9ClN2O2S/c1-16-9(15)5-7-6-17-11(14-7)10-8(12)3-2-4-13-10/h2-4,6H,5H2,1H3
InChIKeyRUADYHCLQGYDAJ-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.57
Rot. Bonds3

About methyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate (PubChem CID 103442928) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is methyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate
PubChem CID103442928
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Namemethyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(-c2ncccc2Cl)n1
InChIInChI=1S/C11H9ClN2O2S/c1-16-9(15)5-7-6-17-11(14-7)10-8(12)3-2-4-13-10/h2-4,6H,5H2,1H3
InChIKeyRUADYHCLQGYDAJ-UHFFFAOYSA-N
XLogP2.57
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511905
methyl 2-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 113456409
methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate
CID 80574366
methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 80574115
methyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate
CID 113393847
methyl 2-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate
CID 83090537
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381
methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate
CID 136988898
methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913070
methyl (2S)-2-[2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]oxy-2-phenylacetate
CID 30926944
methyl 2-[2-(2,4,6-trichloroanilino)-1,3-thiazol-4-yl]acetate
CID 80574111
ethyl 2-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 80574224

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate (CID 103442928) is methyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(-c2ncccc2Cl)n1.
What is the InChIKey of methyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is RUADYHCLQGYDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c1-16-9(15)5-7-6-17-11(14-7)10-8(12)3-2-4-13-10/h2-4,6H,5H2,1H3.
What are the key properties of methyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 268.73 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 103442928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).