(2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate

C15H15ClN2O4S — CID 9404250

IUPAC(2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate
SMILESCC(=O)Nc1nc(COC(=O)COc2ccc(Cl)c(C)c2)cs1
InChIInChI=1S/C15H15ClN2O4S/c1-9-5-12(3-4-13(9)16)21-7-14(20)22-6-11-8-23-15(18-11)17-10(2)19/h3-5,8H,6-7H2,1-2H3,(H,17,18,19)
InChIKeyBERNUFHTWABSTK-UHFFFAOYSA-N
MW354.82 g/mol
LogP3.19
Rot. Bonds6

About (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate

(2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate (PubChem CID 9404250) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate.

Molecular Properties

Compound Name(2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate
PubChem CID9404250
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name(2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate
SMILESCC(=O)Nc1nc(COC(=O)COc2ccc(Cl)c(C)c2)cs1
InChIInChI=1S/C15H15ClN2O4S/c1-9-5-12(3-4-13(9)16)21-7-14(20)22-6-11-8-23-15(18-11)17-10(2)19/h3-5,8H,6-7H2,1-2H3,(H,17,18,19)
InChIKeyBERNUFHTWABSTK-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate
CID 7846114
[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate
CID 24631245
(2-acetamido-1,3-thiazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 31645353
2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16547898
2-(4-chloro-3-methylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924827
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-5-methylphenoxy)acetate
CID 7224446
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate
CID 8874317
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-[2-[2-(4-chloro-3-methylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 9155942
ethyl 2-[2-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19271412
[2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 2604812
2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 20894871

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate?
The IUPAC name of (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate (CID 9404250) is (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate.
What is the SMILES notation for (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate?
The canonical SMILES for (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate is CC(=O)Nc1nc(COC(=O)COc2ccc(Cl)c(C)c2)cs1.
What is the InChIKey of (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate?
The InChIKey is BERNUFHTWABSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-9-5-12(3-4-13(9)16)21-7-14(20)22-6-11-8-23-15(18-11)17-10(2)19/h3-5,8H,6-7H2,1-2H3,(H,17,18,19).
What are the key properties of (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate?
(2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate has a molecular weight of 354.82 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate is sourced from PubChem (CID 9404250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).