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

C13H13ClN2O3S — CID 107124340

IUPACmethyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate
SMILESCOC(=O)C(Nc1cccc(OC)c1)c1ncc(Cl)s1
InChIInChI=1S/C13H13ClN2O3S/c1-18-9-5-3-4-8(6-9)16-11(13(17)19-2)12-15-7-10(14)20-12/h3-7,11,16H,1-2H3
InChIKeyIYBBPNXIFWUELT-UHFFFAOYSA-N
MW312.78 g/mol
LogP3.13
Rot. Bonds5

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

methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate (PubChem CID 107124340) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate
PubChem CID107124340
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Namemethyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate
SMILESCOC(=O)C(Nc1cccc(OC)c1)c1ncc(Cl)s1
InChIInChI=1S/C13H13ClN2O3S/c1-18-9-5-3-4-8(6-9)16-11(13(17)19-2)12-15-7-10(14)20-12/h3-7,11,16H,1-2H3
InChIKeyIYBBPNXIFWUELT-UHFFFAOYSA-N
XLogP3.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
CID 107124335
ethyl 2-(3-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
CID 107124321
methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate
CID 102840834
2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide
CID 113373008
2-(3,4-dichlorophenyl)-2-(3-methoxyanilino)acetamide
CID 60995627
methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate
CID 60994307
ethyl 2-(3-bromo-4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
CID 107124280
methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(prop-2-enylamino)acetate
CID 107124379
2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770250
ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770658
methyl 2-(3-ethylimidazol-4-yl)-2-(3-methoxyanilino)acetate
CID 66132458
2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 113451359

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate?
The IUPAC name of methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate (CID 107124340) is methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate.
What is the SMILES notation for methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate?
The canonical SMILES for methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate is COC(=O)C(Nc1cccc(OC)c1)c1ncc(Cl)s1.
What is the InChIKey of methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate?
The InChIKey is IYBBPNXIFWUELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-18-9-5-3-4-8(6-9)16-11(13(17)19-2)12-15-7-10(14)20-12/h3-7,11,16H,1-2H3.
What are the key properties of methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate?
methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate has a molecular weight of 312.78 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate is sourced from PubChem (CID 107124340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).