methyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate

C11H8Br2N2O2S — CID 113393847

IUPACmethyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(-c2ncc(Br)cc2Br)n1
InChIInChI=1S/C11H8Br2N2O2S/c1-17-9(16)3-7-5-18-11(15-7)10-8(13)2-6(12)4-14-10/h2,4-5H,3H2,1H3
InChIKeyXEWOOQAALZZKGV-UHFFFAOYSA-N
MW392.07 g/mol
LogP3.45
Rot. Bonds3

About methyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate (PubChem CID 113393847) has the molecular formula C11H8Br2N2O2S and a molecular weight of 392.07 g/mol. Its IUPAC name is methyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate
PubChem CID113393847
Molecular FormulaC11H8Br2N2O2S
Molecular Weight392.07 g/mol
Exact Mass389.87
IUPAC Namemethyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(-c2ncc(Br)cc2Br)n1
InChIInChI=1S/C11H8Br2N2O2S/c1-17-9(16)3-7-5-18-11(15-7)10-8(13)2-6(12)4-14-10/h2,4-5H,3H2,1H3
InChIKeyXEWOOQAALZZKGV-UHFFFAOYSA-N
XLogP3.45
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.07
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate
CID 103442928
methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate
CID 136988898
methyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 80574213
methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 80574115
methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate
CID 80574366
methyl 2-[2-(5-bromo-2-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574470
methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913070
methyl 2-[2-[(2,5-dichloropyridine-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 104986172
methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 78798579
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405
methyl 2-[2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 91434658
methyl 2-[2-[(3-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 47284512

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate (CID 113393847) is methyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(-c2ncc(Br)cc2Br)n1.
What is the InChIKey of methyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is XEWOOQAALZZKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2O2S/c1-17-9(16)3-7-5-18-11(15-7)10-8(13)2-6(12)4-14-10/h2,4-5H,3H2,1H3.
What are the key properties of methyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 392.07 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 113393847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).