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

C20H18N2O4S — CID 2466553

IUPACethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C20H18N2O4S/c1-2-25-18(23)12-15-13-27-20(21-15)22-19(24)14-8-10-17(11-9-14)26-16-6-4-3-5-7-16/h3-11,13H,2,12H2,1H3,(H,21,22,24)
InChIKeySJYHULIMRTXCSK-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.29
Rot. Bonds7

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

ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 2466553) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID2466553
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Nameethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C20H18N2O4S/c1-2-25-18(23)12-15-13-27-20(21-15)22-19(24)14-8-10-17(11-9-14)26-16-6-4-3-5-7-16/h3-11,13H,2,12H2,1H3,(H,21,22,24)
InChIKeySJYHULIMRTXCSK-UHFFFAOYSA-N
XLogP4.29
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 71704945
ethyl 2-[2-[[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 121094373
ethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 60572662
N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[(4-propan-2-ylsulfanylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 55821879
ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 17309220
ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 3145095
ethyl 2-[2-[(6-bromopyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 66463368
ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 43019001
ethyl 2-[2-[(1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19474564

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate (CID 2466553) is ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is SJYHULIMRTXCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-2-25-18(23)12-15-13-27-20(21-15)22-19(24)14-8-10-17(11-9-14)26-16-6-4-3-5-7-16/h3-11,13H,2,12H2,1H3,(H,21,22,24).
What are the key properties of ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 382.44 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2466553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).