ethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate

C15H17ClN2O2S — CID 80574170

IUPACethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C15H17ClN2O2S/c1-3-20-14(19)8-11-9-21-15(18-11)17-10(2)12-6-4-5-7-13(12)16/h4-7,9-10H,3,8H2,1-2H3,(H,17,18)
InChIKeyVSNDSABUKDJTGK-UHFFFAOYSA-N
MW324.83 g/mol
LogP4.08
Rot. Bonds6

About ethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 80574170) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is ethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate
PubChem CID80574170
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Nameethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C15H17ClN2O2S/c1-3-20-14(19)8-11-9-21-15(18-11)17-10(2)12-6-4-5-7-13(12)16/h4-7,9-10H,3,8H2,1-2H3,(H,17,18)
InChIKeyVSNDSABUKDJTGK-UHFFFAOYSA-N
XLogP4.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate
CID 80568153
ethyl 2-[2-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-(4-methylpentan-2-ylamino)-1,3-thiazol-4-yl]acetate
CID 80574798
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31305146
ethyl 2-[2-[[(2R)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 97170705
ethyl 2-[2-[2-(2,3-dichlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 55686119
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 75176428
ethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 80575699
ethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate
CID 80574794
ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
methyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80575155
ethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 80573862

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate (CID 80574170) is ethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(C)c2ccccc2Cl)n1.
What is the InChIKey of ethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is VSNDSABUKDJTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-3-20-14(19)8-11-9-21-15(18-11)17-10(2)12-6-4-5-7-13(12)16/h4-7,9-10H,3,8H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 324.83 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).