2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate

C16H17N2O4S- — CID 9158227

IUPAC2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate
SMILESCCOc1ccccc1NC(=O)[C@@H](C)c1nc(CC(=O)[O-])cs1
InChIInChI=1S/C16H18N2O4S/c1-3-22-13-7-5-4-6-12(13)18-15(21)10(2)16-17-11(9-23-16)8-14(19)20/h4-7,9-10H,3,8H2,1-2H3,(H,18,21)(H,19,20)/p-1/t10-/m1/s1
InChIKeyUDDHWUKCCCMSCF-SNVBAGLBSA-M
MW333.39 g/mol
LogP1.58
Rot. Bonds7

About 2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate

2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate (PubChem CID 9158227) has the molecular formula C16H17N2O4S- and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate
PubChem CID9158227
Molecular FormulaC16H17N2O4S-
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate
SMILESCCOc1ccccc1NC(=O)[C@@H](C)c1nc(CC(=O)[O-])cs1
InChIInChI=1S/C16H18N2O4S/c1-3-22-13-7-5-4-6-12(13)18-15(21)10(2)16-17-11(9-23-16)8-14(19)20/h4-7,9-10H,3,8H2,1-2H3,(H,18,21)(H,19,20)/p-1/t10-/m1/s1
InChIKeyUDDHWUKCCCMSCF-SNVBAGLBSA-M
XLogP1.58
TPSA91.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 16642338
2-[2-[(2S)-1-(2,6-diethylanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate
CID 9158264
2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate
CID 9158154
ethyl 2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8546300
2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745513
2-[2-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid
CID 9158127
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
methyl N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883790
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
2-[2-[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]-1,3-thiazol-4-yl]acetic acid
CID 9158170
(2R)-2-(2-ethoxyanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 8558782
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate (CID 9158227) is 2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate is CCOc1ccccc1NC(=O)[C@@H](C)c1nc(CC(=O)[O-])cs1.
What is the InChIKey of 2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate?
The InChIKey is UDDHWUKCCCMSCF-SNVBAGLBSA-M. The full InChI is InChI=1S/C16H18N2O4S/c1-3-22-13-7-5-4-6-12(13)18-15(21)10(2)16-17-11(9-23-16)8-14(19)20/h4-7,9-10H,3,8H2,1-2H3,(H,18,21)(H,19,20)/p-1/t10-/m1/s1.
What are the key properties of 2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate?
2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate has a molecular weight of 333.39 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 9158227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).