ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate

C15H18N2O2S — CID 78913066

IUPACethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C15H18N2O2S/c1-4-19-14(18)9-12-10-20-15(16-12)11-5-7-13(8-6-11)17(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyFIHRSOFOTPPOCA-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.98
Rot. Bonds5

About ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate (PubChem CID 78913066) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
PubChem CID78913066
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Nameethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C15H18N2O2S/c1-4-19-14(18)9-12-10-20-15(16-12)11-5-7-13(8-6-11)17(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyFIHRSOFOTPPOCA-UHFFFAOYSA-N
XLogP2.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913070
ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573514
ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate
CID 78990286
ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 107380235
[2-(N-methylanilino)-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
CID 8609749
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate
CID 80575049
ethyl 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 12953395
[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]methanethiol
CID 82131509
ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate
CID 80574122
ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573399
ethyl 2-[2-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetate
CID 81312374

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate (CID 78913066) is ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(-c2ccc(N(C)C)cc2)n1.
What is the InChIKey of ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is FIHRSOFOTPPOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-19-14(18)9-12-10-20-15(16-12)11-5-7-13(8-6-11)17(2)3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 290.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 78913066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).