methyl 2-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate

C15H15ClN2O4S — CID 38986380

IUPACmethyl 2-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)COc2ccc(Cl)cc2C)n1
InChIInChI=1S/C15H15ClN2O4S/c1-9-5-10(16)3-4-12(9)22-7-13(19)18-15-17-11(8-23-15)6-14(20)21-2/h3-5,8H,6-7H2,1-2H3,(H,17,18,19)
InChIKeyMHULVWFNNBSMRG-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.84
Rot. Bonds6

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

methyl 2-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 38986380) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is methyl 2-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID38986380
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Namemethyl 2-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)COc2ccc(Cl)cc2C)n1
InChIInChI=1S/C15H15ClN2O4S/c1-9-5-10(16)3-4-12(9)22-7-13(19)18-15-17-11(8-23-15)6-14(20)21-2/h3-5,8H,6-7H2,1-2H3,(H,17,18,19)
InChIKeyMHULVWFNNBSMRG-UHFFFAOYSA-N
XLogP2.84
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

methyl 2-[2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 8579410
2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4643294
2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173202
2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 4784997
ethyl 2-[2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2204235
methyl 2-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 38985945
2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196879
ethyl 2-[2-[2-(4-chloro-2-methylphenoxy)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 18287510
2-(4-chloro-2-methylphenoxy)-N-[4-(3-ethyl-4-heptoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 110171562
ethyl 2-[2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 28913234
2-(4-chloro-2-methylphenoxy)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
CID 3301684
ethyl 2-[2-[[2-(4-bromo-2,3,5-trimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 3368386

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 38986380) is methyl 2-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)COc2ccc(Cl)cc2C)n1.
What is the InChIKey of methyl 2-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is MHULVWFNNBSMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-9-5-10(16)3-4-12(9)22-7-13(19)18-15-17-11(8-23-15)6-14(20)21-2/h3-5,8H,6-7H2,1-2H3,(H,17,18,19).
What are the key properties of methyl 2-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 354.82 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 38986380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).