ethyl 2-[2-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate

C17H20N2O4S2 — CID 7455217

IUPACethyl 2-[2-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(S[C@H](C)C(=O)Nc2ccccc2OC)n1
InChIInChI=1S/C17H20N2O4S2/c1-4-23-15(20)9-12-10-24-17(18-12)25-11(2)16(21)19-13-7-5-6-8-14(13)22-3/h5-8,10-11H,4,9H2,1-3H3,(H,19,21)/t11-/m1/s1
InChIKeyFLRQLPBSCUTRPA-LLVKDONJSA-N
MW380.49 g/mol
LogP3.38
Rot. Bonds8

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

ethyl 2-[2-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate (PubChem CID 7455217) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl 2-[2-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
PubChem CID7455217
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Nameethyl 2-[2-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(S[C@H](C)C(=O)Nc2ccccc2OC)n1
InChIInChI=1S/C17H20N2O4S2/c1-4-23-15(20)9-12-10-24-17(18-12)25-11(2)16(21)19-13-7-5-6-8-14(13)22-3/h5-8,10-11H,4,9H2,1-3H3,(H,19,21)/t11-/m1/s1
InChIKeyFLRQLPBSCUTRPA-LLVKDONJSA-N
XLogP3.38
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethyl 2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8546300
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CID 2086791
ethyl 2-[2-[1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 46824865
ethyl 2-[2-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8545965
ethyl 2-[2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 3964013
ethyl 2-[2-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 42903181
ethyl 2-[2-(2-phenylsulfanylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 23801603
ethyl 2-[2-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 7455208
N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 18777406
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 2084302
ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 3950799

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate (CID 7455217) is ethyl 2-[2-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(S[C@H](C)C(=O)Nc2ccccc2OC)n1.
What is the InChIKey of ethyl 2-[2-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate?
The InChIKey is FLRQLPBSCUTRPA-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-4-23-15(20)9-12-10-24-17(18-12)25-11(2)16(21)19-13-7-5-6-8-14(13)22-3/h5-8,10-11H,4,9H2,1-3H3,(H,19,21)/t11-/m1/s1.
What are the key properties of ethyl 2-[2-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate has a molecular weight of 380.49 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 7455217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).