(2-anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate

C18H15ClN2O3S — CID 2343528

IUPAC(2-anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)OCc1csc(Nc2ccccc2)n1
InChIInChI=1S/C18H15ClN2O3S/c19-13-6-8-16(9-7-13)23-11-17(22)24-10-15-12-25-18(21-15)20-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,21)
InChIKeyKFQRQELMOXVWCY-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.66
Rot. Bonds7

About (2-anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate

(2-anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate (PubChem CID 2343528) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is (2-anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name(2-anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate
PubChem CID2343528
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC Name(2-anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)OCc1csc(Nc2ccccc2)n1
InChIInChI=1S/C18H15ClN2O3S/c19-13-6-8-16(9-7-13)23-11-17(22)24-10-15-12-25-18(21-15)20-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,21)
InChIKeyKFQRQELMOXVWCY-UHFFFAOYSA-N
XLogP4.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Sodium 2-(5-chloro-2-phenylmethoxyanilino)-1,3-thiazole-4-carboxylate
CID 23678185
2-(4-chlorophenoxy)-N-(4-(thiophen-2-yl)thiazol-2-yl)acetamide
CID 2359907
4-Methyl-2-(2-phenoxy-acetylamino)-thiazole-5-carboxylic acid (3-chloro-phenyl)-amide
CID 1468188
(2-Anilino-1,3-thiazol-4-yl)methyl 2-phenoxyacetate
CID 2357547
N-(4-chlorophenyl)-2-[2-[3-(dimethylamino)propyl-(2-phenoxyacetyl)amino]-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 16192949
2-(4-chlorophenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 979319
2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1153682
Acetic acid, (4-(2-((4-chlorophenyl)amino)-4-thiazolyl)phenoxy)-, ethyl ester
CID 3074897
Acetic acid, (4-(2-((4-chlorophenyl)amino)-4-thiazolyl)phenoxy)-
CID 3074902
Ethyl 2-(4-chloro-2-methoxyanilino)-1,3-thiazole-4-carboxylate
CID 177639570
2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 1087154
4-[(3-chlorophenoxy)methyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine
CID 45916138

Frequently Asked Questions

What is the IUPAC name of (2-anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate?
The IUPAC name of (2-anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate (CID 2343528) is (2-anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for (2-anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate?
The canonical SMILES for (2-anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate is O=C(COc1ccc(Cl)cc1)OCc1csc(Nc2ccccc2)n1.
What is the InChIKey of (2-anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate?
The InChIKey is KFQRQELMOXVWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c19-13-6-8-16(9-7-13)23-11-17(22)24-10-15-12-25-18(21-15)20-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,21).
What are the key properties of (2-anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate?
(2-anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate has a molecular weight of 374.85 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 2343528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).