ethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate

C12H14N4O5S3 — CID 55643015

IUPACethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1NC(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H14N4O5S3/c1-3-21-12(18)10-11(23-15-14-10)13-8(17)7-16(2)24(19,20)9-5-4-6-22-9/h4-6H,3,7H2,1-2H3,(H,13,17)
InChIKeyXHGWBZNTFGMTRG-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.04
Rot. Bonds7

About ethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate

ethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate (PubChem CID 55643015) has the molecular formula C12H14N4O5S3 and a molecular weight of 390.47 g/mol. Its IUPAC name is ethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate
PubChem CID55643015
Molecular FormulaC12H14N4O5S3
Molecular Weight390.47 g/mol
Exact Mass390.01
IUPAC Nameethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1NC(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H14N4O5S3/c1-3-21-12(18)10-11(23-15-14-10)13-8(17)7-16(2)24(19,20)9-5-4-6-22-9/h4-6H,3,7H2,1-2H3,(H,13,17)
InChIKeyXHGWBZNTFGMTRG-UHFFFAOYSA-N
XLogP1.04
TPSA118.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 5-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]thiadiazole-4-carboxylate
CID 55671088
ethyl 5-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]thiadiazole-4-carboxylate
CID 55642419
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4820945
N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4117119
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115594805
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
ethyl 5-[[2-(3-phenylpropylsulfonyl)acetyl]amino]thiadiazole-4-carboxylate
CID 55687711
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30702107
N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7685406

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate?
The IUPAC name of ethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate (CID 55643015) is ethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate is CCOC(=O)c1nnsc1NC(=O)CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of ethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate?
The InChIKey is XHGWBZNTFGMTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O5S3/c1-3-21-12(18)10-11(23-15-14-10)13-8(17)7-16(2)24(19,20)9-5-4-6-22-9/h4-6H,3,7H2,1-2H3,(H,13,17).
What are the key properties of ethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate?
ethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate has a molecular weight of 390.47 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate is sourced from PubChem (CID 55643015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).