methyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate

C12H10BrClN2O2S — CID 107124335

IUPACmethyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
SMILESCOC(=O)C(Nc1ccc(Br)cc1)c1ncc(Cl)s1
InChIInChI=1S/C12H10BrClN2O2S/c1-18-12(17)10(11-15-6-9(14)19-11)16-8-4-2-7(13)3-5-8/h2-6,10,16H,1H3
InChIKeyGLBONDZSWLGJES-UHFFFAOYSA-N
MW361.65 g/mol
LogP3.89
Rot. Bonds4

About methyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate

methyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate (PubChem CID 107124335) has the molecular formula C12H10BrClN2O2S and a molecular weight of 361.65 g/mol. Its IUPAC name is methyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
PubChem CID107124335
Molecular FormulaC12H10BrClN2O2S
Molecular Weight361.65 g/mol
Exact Mass359.93
IUPAC Namemethyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
SMILESCOC(=O)C(Nc1ccc(Br)cc1)c1ncc(Cl)s1
InChIInChI=1S/C12H10BrClN2O2S/c1-18-12(17)10(11-15-6-9(14)19-11)16-8-4-2-7(13)3-5-8/h2-6,10,16H,1H3
InChIKeyGLBONDZSWLGJES-UHFFFAOYSA-N
XLogP3.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.65
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate
CID 107124340
ethyl 2-(3-bromo-4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
CID 107124280
2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid
CID 107124347
methyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822541
methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(prop-2-enylamino)acetate
CID 107124379
ethyl 2-(3-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
CID 107124321
methyl 2-(5-bromo-2-fluorophenyl)-2-(4-chloroanilino)acetate
CID 60994342
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate
CID 102840732
methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-piperazin-1-ylacetate
CID 107124353
methyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate
CID 113373016
methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate
CID 102840677
ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770653

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate?
The IUPAC name of methyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate (CID 107124335) is methyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate?
The canonical SMILES for methyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate is COC(=O)C(Nc1ccc(Br)cc1)c1ncc(Cl)s1.
What is the InChIKey of methyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate?
The InChIKey is GLBONDZSWLGJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2S/c1-18-12(17)10(11-15-6-9(14)19-11)16-8-4-2-7(13)3-5-8/h2-6,10,16H,1H3.
What are the key properties of methyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate?
methyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate has a molecular weight of 361.65 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 107124335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).