ethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate

C14H16N2O4S2 — CID 122157163

IUPACethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C14H16N2O4S2/c1-4-20-13(18)10-5-9(3)22-12(10)15-11(17)6-16-8(2)7-21-14(16)19/h5,7H,4,6H2,1-3H3,(H,15,17)
InChIKeyWEWURQFZWQMMEX-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.40
Rot. Bonds5

About ethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate

ethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 122157163) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is ethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID122157163
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Nameethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C14H16N2O4S2/c1-4-20-13(18)10-5-9(3)22-12(10)15-11(17)6-16-8(2)7-21-14(16)19/h5,7H,4,6H2,1-3H3,(H,15,17)
InChIKeyWEWURQFZWQMMEX-UHFFFAOYSA-N
XLogP2.40
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
ethyl 5-methyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22197629
2-[2-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569937
ethyl 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 60795222
4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid
CID 831651
ethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate
CID 63618199
6-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-6-oxohexanoic acid
CID 63618723
ethyl 5-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
CID 17173072
ethyl 2-[(1-aminocyclopropanecarbonyl)amino]-5-methylthiophene-3-carboxylate
CID 65457704
ethyl 2-[(2-amino-2-methylpropanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63618036
ethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate
CID 79161946
ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate
CID 65216558

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate (CID 122157163) is ethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NC(=O)Cn1c(C)csc1=O.
What is the InChIKey of ethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is WEWURQFZWQMMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-4-20-13(18)10-5-9(3)22-12(10)15-11(17)6-16-8(2)7-21-14(16)19/h5,7H,4,6H2,1-3H3,(H,15,17).
What are the key properties of ethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate?
ethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 340.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 122157163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).