ethyl 3-methyl-5-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate

C15H15N5O3S2 — CID 24578607

IUPACethyl 3-methyl-5-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CSc2nc3ncccn3n2)cc1C
InChIInChI=1S/C15H15N5O3S2/c1-3-23-13(22)12-9(2)7-11(25-12)17-10(21)8-24-15-18-14-16-5-4-6-20(14)19-15/h4-7H,3,8H2,1-2H3,(H,17,21)
InChIKeyAWUORYDDTKELRB-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.40
Rot. Bonds6

About ethyl 3-methyl-5-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate

ethyl 3-methyl-5-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate (PubChem CID 24578607) has the molecular formula C15H15N5O3S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is ethyl 3-methyl-5-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate
PubChem CID24578607
Molecular FormulaC15H15N5O3S2
Molecular Weight377.45 g/mol
Exact Mass377.06
IUPAC Nameethyl 3-methyl-5-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CSc2nc3ncccn3n2)cc1C
InChIInChI=1S/C15H15N5O3S2/c1-3-23-13(22)12-9(2)7-11(25-12)17-10(21)8-24-15-18-14-16-5-4-6-20(14)19-15/h4-7H,3,8H2,1-2H3,(H,17,21)
InChIKeyAWUORYDDTKELRB-UHFFFAOYSA-N
XLogP2.40
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 3-methyl-5-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

ethyl 3-methyl-5-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-2-carboxylate
CID 24569527
ethyl 5-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 24600642
ethyl 3-methyl-5-[(2-phenylsulfanylacetyl)amino]thiophene-2-carboxylate
CID 7254718
ethyl 5-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate
CID 31903476
N-(5-fluoro-2-methylphenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 18130890
ethyl 5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate
CID 41320597
N-(6-methyl-1,3-benzothiazol-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 24578579
N-(2-methoxy-5-methylphenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 46672655
ethyl 3-methyl-5-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-2-carboxylate
CID 24569652
ethyl 5-[[2-(2-ethoxy-2-oxoethyl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate
CID 24569681
N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 41351214
ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate (CID 24578607) is ethyl 3-methyl-5-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)CSc2nc3ncccn3n2)cc1C.
What is the InChIKey of ethyl 3-methyl-5-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate?
The InChIKey is AWUORYDDTKELRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S2/c1-3-23-13(22)12-9(2)7-11(25-12)17-10(21)8-24-15-18-14-16-5-4-6-20(14)19-15/h4-7H,3,8H2,1-2H3,(H,17,21).
What are the key properties of ethyl 3-methyl-5-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate?
ethyl 3-methyl-5-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate has a molecular weight of 377.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 24578607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).