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

C16H18N2O4S — CID 3145095

IUPACethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C(C)Oc2ccccc2)n1
InChIInChI=1S/C16H18N2O4S/c1-3-21-14(19)9-12-10-23-16(17-12)18-15(20)11(2)22-13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3,(H,17,18,20)
InChIKeyDETMSEXNDGUNJD-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.65
Rot. Bonds7

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

ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 3145095) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate
PubChem CID3145095
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Nameethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C(C)Oc2ccccc2)n1
InChIInChI=1S/C16H18N2O4S/c1-3-21-14(19)9-12-10-23-16(17-12)18-15(20)11(2)22-13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3,(H,17,18,20)
InChIKeyDETMSEXNDGUNJD-UHFFFAOYSA-N
XLogP2.65
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(2-phenoxybutanoylamino)-1,3-thiazol-4-yl]acetate
CID 2948076
ethyl 2-[2-[2-(2,3-dichlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 55686119
ethyl 2-[2-(2-phenylsulfanylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 23801603
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725
N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363
ethyl 2-[2-(2-benzylsulfanylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 23886497
ethyl 2-[2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 1080646
ethyl 2-[2-[2-(4-chloro-2-methylphenoxy)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 18287510
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 18139540
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate (CID 3145095) is ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)C(C)Oc2ccccc2)n1.
What is the InChIKey of ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is DETMSEXNDGUNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-3-21-14(19)9-12-10-23-16(17-12)18-15(20)11(2)22-13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3,(H,17,18,20).
What are the key properties of ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 334.40 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 3145095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).