methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate

C15H12N2O2S — CID 80574366

IUPACmethyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate
SMILESCOC(=O)Cc1csc(-c2ccc3ncccc3c2)n1
InChIInChI=1S/C15H12N2O2S/c1-19-14(18)8-12-9-20-15(17-12)11-4-5-13-10(7-11)3-2-6-16-13/h2-7,9H,8H2,1H3
InChIKeyTXVQSCMRZBRODB-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.07
Rot. Bonds3

About methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate

methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate (PubChem CID 80574366) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate
PubChem CID80574366
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Namemethyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate
SMILESCOC(=O)Cc1csc(-c2ccc3ncccc3c2)n1
InChIInChI=1S/C15H12N2O2S/c1-19-14(18)8-12-9-20-15(17-12)11-4-5-13-10(7-11)3-2-6-16-13/h2-7,9H,8H2,1H3
InChIKeyTXVQSCMRZBRODB-UHFFFAOYSA-N
XLogP3.07
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913070
methyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate
CID 103442928
methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 80574115
methyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 106847709
methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate
CID 136988898
4-bromo-2-quinolin-6-yl-1,3-thiazole
CID 81221650
methyl 2-[2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 91434658
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methyl-2-pyridinyl)acetamide
CID 55450669
2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576847
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 16567274
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815602
methyl 4-quinolin-6-ylbutanoate
CID 116997352

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate (CID 80574366) is methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate is COC(=O)Cc1csc(-c2ccc3ncccc3c2)n1.
What is the InChIKey of methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is TXVQSCMRZBRODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-14(18)8-12-9-20-15(17-12)11-4-5-13-10(7-11)3-2-6-16-13/h2-7,9H,8H2,1H3.
What are the key properties of methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate?
methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 284.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 80574366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).