ethyl 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetate

C19H17ClN2O3S — CID 3074897

IUPACethyl 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H17ClN2O3S/c1-2-24-18(23)11-25-16-9-3-13(4-10-16)17-12-26-19(22-17)21-15-7-5-14(20)6-8-15/h3-10,12H,2,11H2,1H3,(H,21,22)
InChIKeySTENHTAPAWYURW-UHFFFAOYSA-N
MW388.88 g/mol
LogP5.15
Rot. Bonds7

About ethyl 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetate

ethyl 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetate (PubChem CID 3074897) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is ethyl 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetate
PubChem CID3074897
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Nameethyl 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H17ClN2O3S/c1-2-24-18(23)11-25-16-9-3-13(4-10-16)17-12-26-19(22-17)21-15-7-5-14(20)6-8-15/h3-10,12H,2,11H2,1H3,(H,21,22)
InChIKeySTENHTAPAWYURW-UHFFFAOYSA-N
XLogP5.15
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.88
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
1-(4-(4-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 930415
Acetic acid 4-[2-(6-methyl-pyridin-2-ylamino)-thiazol-4-yl]-phenyl ester
CID 1092437
4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 4521790
4-(4-chlorophenyl)-N-(4-methoxyphenyl)thiazol-2-amine
CID 768022
4-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 58911052
N-(3-chloro-2-methylphenyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 1339669
4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine Hydrobromide
CID 2058278
(2-Anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate
CID 2343528
[2-[[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2434101
2-(2-(2-Chlorophenylamino)-4-(4-phenoxyphenyl)thiazol-5-yl)acetic acid
CID 3145335
N,4-bis(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 16192584

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetate (CID 3074897) is ethyl 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetate is CCOC(=O)COc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of ethyl 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetate?
The InChIKey is STENHTAPAWYURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-2-24-18(23)11-25-16-9-3-13(4-10-16)17-12-26-19(22-17)21-15-7-5-14(20)6-8-15/h3-10,12H,2,11H2,1H3,(H,21,22).
What are the key properties of ethyl 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetate?
ethyl 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetate has a molecular weight of 388.88 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetate is sourced from PubChem (CID 3074897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).