ethyl 4-methyl-2-[[2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate

C13H15N5O4S — CID 135453695

IUPACethyl 4-methyl-2-[[2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cc2nnc(C)c(=O)[nH]2)nc1C
InChIInChI=1S/C13H15N5O4S/c1-4-22-12(21)10-6(2)14-13(23-10)16-9(19)5-8-15-11(20)7(3)17-18-8/h4-5H2,1-3H3,(H,14,16,19)(H,15,18,20)
InChIKeyNXSCRYBLOAWEEN-UHFFFAOYSA-N
MW337.36 g/mol
LogP0.60
Rot. Bonds5

About ethyl 4-methyl-2-[[2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[[2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 135453695) has the molecular formula C13H15N5O4S and a molecular weight of 337.36 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID135453695
Molecular FormulaC13H15N5O4S
Molecular Weight337.36 g/mol
Exact Mass337.08
IUPAC Nameethyl 4-methyl-2-[[2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cc2nnc(C)c(=O)[nH]2)nc1C
InChIInChI=1S/C13H15N5O4S/c1-4-22-12(21)10-6(2)14-13(23-10)16-9(19)5-8-15-11(20)7(3)17-18-8/h4-5H2,1-3H3,(H,14,16,19)(H,15,18,20)
InChIKeyNXSCRYBLOAWEEN-UHFFFAOYSA-N
XLogP0.60
TPSA126.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-methyl-2-[[2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 4-methyl-2-[[(2S)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanoyl]amino]-1,3-thiazole-5-carboxylate
CID 135925951
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 3663745
ethyl 2-(heptanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 4072445
ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 86635202
ethyl 2-[[2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 16764764
ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 41145800
ethyl 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266806
ethyl 4-methyl-2-[[2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 135667047
ethyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 2072961
ethyl 2-[(3-amino-2-methylpropanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 168974660
prop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate
CID 110441292

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (CID 135453695) is ethyl 4-methyl-2-[[2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Cc2nnc(C)c(=O)[nH]2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is NXSCRYBLOAWEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O4S/c1-4-22-12(21)10-6(2)14-13(23-10)16-9(19)5-8-15-11(20)7(3)17-18-8/h4-5H2,1-3H3,(H,14,16,19)(H,15,18,20).
What are the key properties of ethyl 4-methyl-2-[[2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 337.36 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 135453695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).