ethyl 5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiadiazole-4-carboxylate

C17H16N4O3S2 — CID 55671121

IUPACethyl 5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1NC(=O)Cc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C17H16N4O3S2/c1-3-24-17(23)14-16(26-21-20-14)19-13(22)8-12-9-25-15(18-12)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,19,22)
InChIKeyFYHNNCLDIALFCS-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.33
Rot. Bonds6

About ethyl 5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiadiazole-4-carboxylate

ethyl 5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiadiazole-4-carboxylate (PubChem CID 55671121) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is ethyl 5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiadiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiadiazole-4-carboxylate
PubChem CID55671121
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC Nameethyl 5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1NC(=O)Cc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C17H16N4O3S2/c1-3-24-17(23)14-16(26-21-20-14)19-13(22)8-12-9-25-15(18-12)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,19,22)
InChIKeyFYHNNCLDIALFCS-UHFFFAOYSA-N
XLogP3.33
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
ethyl 2-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate
CID 16581088
ethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 18075486
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 35025092
N-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119640329
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-ethylthiadiazole-5-carboxylate
CID 8535499
ethyl 4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoate
CID 37258678
N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585808
ethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 16557369
methyl 2-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 16550364
N-(1-amino-2-methylpropan-2-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119521950
ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 39631537

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiadiazole-4-carboxylate?
The IUPAC name of ethyl 5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiadiazole-4-carboxylate (CID 55671121) is ethyl 5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiadiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiadiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiadiazole-4-carboxylate is CCOC(=O)c1nnsc1NC(=O)Cc1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of ethyl 5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiadiazole-4-carboxylate?
The InChIKey is FYHNNCLDIALFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-3-24-17(23)14-16(26-21-20-14)19-13(22)8-12-9-25-15(18-12)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,19,22).
What are the key properties of ethyl 5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiadiazole-4-carboxylate?
ethyl 5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiadiazole-4-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiadiazole-4-carboxylate is sourced from PubChem (CID 55671121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).