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

C15H19N3O2S — CID 106760974

IUPACethyl 2-[2-[2-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2ccccc2N(C)C)n1
InChIInChI=1S/C15H19N3O2S/c1-4-20-14(19)9-11-10-21-15(16-11)17-12-7-5-6-8-13(12)18(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,17)
InChIKeyWUPVSRAMZBFOHC-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.06
Rot. Bonds6

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

ethyl 2-[2-[2-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetate (PubChem CID 106760974) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is ethyl 2-[2-[2-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetate
PubChem CID106760974
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Nameethyl 2-[2-[2-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2ccccc2N(C)C)n1
InChIInChI=1S/C15H19N3O2S/c1-4-20-14(19)9-11-10-21-15(16-11)17-12-7-5-6-8-13(12)18(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,17)
InChIKeyWUPVSRAMZBFOHC-UHFFFAOYSA-N
XLogP3.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(2,3-difluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574749
ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
ethyl 2-[2-(4-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 80574072
ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 107810524
ethyl 2-[2-(2,5-difluoro-4-methylanilino)-1,3-thiazol-4-yl]acetate
CID 103587768
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
methyl 2-[2-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate
CID 106760978
ethyl 2-[2-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate
CID 80574636
ethyl 2-[2-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-4-yl]acetate
CID 24680091
ethyl 2-[2-[2-(dimethylamino)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78912318
methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 112724634
ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate
CID 80575413

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetate (CID 106760974) is ethyl 2-[2-[2-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(Nc2ccccc2N(C)C)n1.
What is the InChIKey of ethyl 2-[2-[2-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetate?
The InChIKey is WUPVSRAMZBFOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-20-14(19)9-11-10-21-15(16-11)17-12-7-5-6-8-13(12)18(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-[2-[2-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetate has a molecular weight of 305.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 106760974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).