ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

C13H20N2O3S — CID 671084

IUPACethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(N)sc(C(=O)N(CC)CC)c1C
InChIInChI=1S/C13H20N2O3S/c1-5-15(6-2)12(16)10-8(4)9(11(14)19-10)13(17)18-7-3/h5-7,14H2,1-4H3
InChIKeyCQFLXLZREFAIKV-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.30
Rot. Bonds5

About ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate (PubChem CID 671084) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
PubChem CID671084
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Nameethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(N)sc(C(=O)N(CC)CC)c1C
InChIInChI=1S/C13H20N2O3S/c1-5-15(6-2)12(16)10-8(4)9(11(14)19-10)13(17)18-7-3/h5-7,14H2,1-4H3
InChIKeyCQFLXLZREFAIKV-UHFFFAOYSA-N
XLogP2.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
CID 78537
Ethyl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 602880
Ethyl 4,5-dimethyl-2-[(piperidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 691671
6-tert-butyl 3-ethyl 2-amino-4H,5H,6H,7H-thieno(2,3-c)pyridine-3,6-dicarboxylate
CID 2794740
Diethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate
CID 291812
Thieno(2,3-c)pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-6-acetyl-6-amino-, ethyl ester
CID 212358
4-Ethyl 2-(2-methoxyethyl) 5-amino-3-methylthiophene-2,4-dicarboxylate
CID 1573152
Ethyl 5-amino-4-carbamoyl-3-methylthiophene-2-carboxylate
CID 611221
Ethyl 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 731240
Ethyl 2-amino-4,5-dimethyl3-thenoate
CID 78536
Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carboxylate
CID 207319
2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
CID 607607

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate (CID 671084) is ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(N)sc(C(=O)N(CC)CC)c1C.
What is the InChIKey of ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The InChIKey is CQFLXLZREFAIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-5-15(6-2)12(16)10-8(4)9(11(14)19-10)13(17)18-7-3/h5-7,14H2,1-4H3.
What are the key properties of ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 671084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).