ethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C16H16Cl2N2O4S — CID 1291639

IUPACethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C16H16Cl2N2O4S/c1-4-23-15(22)13-8(2)19-16(25-13)20-14(21)9(3)24-12-6-5-10(17)7-11(12)18/h5-7,9H,4H2,1-3H3,(H,19,20,21)/t9-/m0/s1
InChIKeyMXTOCTJLXRUJBA-VIFPVBQESA-N
MW403.29 g/mol
LogP4.34
Rot. Bonds6

About ethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 1291639) has the molecular formula C16H16Cl2N2O4S and a molecular weight of 403.29 g/mol. Its IUPAC name is ethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID1291639
Molecular FormulaC16H16Cl2N2O4S
Molecular Weight403.29 g/mol
Exact Mass402.02
IUPAC Nameethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C16H16Cl2N2O4S/c1-4-23-15(22)13-8(2)19-16(25-13)20-14(21)9(3)24-12-6-5-10(17)7-11(12)18/h5-7,9H,4H2,1-3H3,(H,19,20,21)/t9-/m0/s1
InChIKeyMXTOCTJLXRUJBA-VIFPVBQESA-N
XLogP4.34
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 2-[2-(2,3-dichlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 43077610
diethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 2787716
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide
CID 55583774
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 3663745
ethyl 2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 41141927
ethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 4248539
ethyl 2-[2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 1080646
ethyl 2-[(5-chloro-2-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1366564
ethyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2163918
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7939457
(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide
CID 30690113
ethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-1-benzothiophene-3-carboxylate
CID 5128620

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 1291639) is ethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)nc1C.
What is the InChIKey of ethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is MXTOCTJLXRUJBA-VIFPVBQESA-N. The full InChI is InChI=1S/C16H16Cl2N2O4S/c1-4-23-15(22)13-8(2)19-16(25-13)20-14(21)9(3)24-12-6-5-10(17)7-11(12)18/h5-7,9H,4H2,1-3H3,(H,19,20,21)/t9-/m0/s1.
What are the key properties of ethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 403.29 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 1291639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).