ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate

C12H12N4O5S — CID 86581978

IUPACethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1noc(C)n1
InChIInChI=1S/C12H12N4O5S/c1-3-20-12(19)15-9(17)7-4-5-22-11(7)14-10(18)8-13-6(2)21-16-8/h4-5H,3H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyZOAOKVWKTBFEFA-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.58
Rot. Bonds4

About ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 86581978) has the molecular formula C12H12N4O5S and a molecular weight of 324.32 g/mol. Its IUPAC name is ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
PubChem CID86581978
Molecular FormulaC12H12N4O5S
Molecular Weight324.32 g/mol
Exact Mass324.05
IUPAC Nameethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1noc(C)n1
InChIInChI=1S/C12H12N4O5S/c1-3-20-12(19)15-9(17)7-4-5-22-11(7)14-10(18)8-13-6(2)21-16-8/h4-5H,3H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyZOAOKVWKTBFEFA-UHFFFAOYSA-N
XLogP1.58
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464988
ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464823
ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
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ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
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ethyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7192459
ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate
CID 7167159
ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate
CID 8719049
ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167142
methyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 16953741
ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 86581979
ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 41148716
ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121465032

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate (CID 86581978) is ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1noc(C)n1.
What is the InChIKey of ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The InChIKey is ZOAOKVWKTBFEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O5S/c1-3-20-12(19)15-9(17)7-4-5-22-11(7)14-10(18)8-13-6(2)21-16-8/h4-5H,3H2,1-2H3,(H,14,18)(H,15,17,19).
What are the key properties of ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate?
ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 324.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 86581978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).