3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide

C12H19N3O2S — CID 103421831

IUPAC3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCCOCC2)cc1N
InChIInChI=1S/C12H19N3O2S/c1-2-14-12(16)11-9(13)8-10(18-11)15-4-3-6-17-7-5-15/h8H,2-7,13H2,1H3,(H,14,16)
InChIKeyOJIUQILTQJDTGH-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.31
Rot. Bonds3

About 3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide

3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide (PubChem CID 103421831) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
PubChem CID103421831
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCCOCC2)cc1N
InChIInChI=1S/C12H19N3O2S/c1-2-14-12(16)11-9(13)8-10(18-11)15-4-3-6-17-7-5-15/h8H,2-7,13H2,1H3,(H,14,16)
InChIKeyOJIUQILTQJDTGH-UHFFFAOYSA-N
XLogP1.31
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(1,4-diazepan-1-yl)-N-ethylthiophene-2-carboxamide
CID 103524899
3-amino-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide
CID 103419126
3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
CID 103421810
3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide
CID 103506239
3-amino-5-(4-methylazepan-1-yl)-N-propylthiophene-2-carboxamide
CID 103422043
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103506550
1-(3-amino-5-piperidin-1-ylthiophen-2-yl)ethanone
CID 103419795
3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
CID 103422093
4-amino-N-methyl-2-(1,4-oxazepan-4-yl)-5-propanoylthiophene-3-carboxamide
CID 103421788
3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid
CID 68518867
ethyl 3-amino-4-methylsulfanyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxylate
CID 103421776
ethyl 3-amino-4-cyano-5-(1,4-oxazepan-4-yl)thiophene-2-carboxylate
CID 103421819

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide (CID 103421831) is 3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide is CCNC(=O)c1sc(N2CCCOCC2)cc1N.
What is the InChIKey of 3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide?
The InChIKey is OJIUQILTQJDTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-14-12(16)11-9(13)8-10(18-11)15-4-3-6-17-7-5-15/h8H,2-7,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide?
3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103421831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).