ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate

C13H21N3O3S — CID 103419240

IUPACethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(N(CC)CC)c(C(=O)NC)c1N
InChIInChI=1S/C13H21N3O3S/c1-5-16(6-2)12-8(11(17)15-4)9(14)10(20-12)13(18)19-7-3/h5-7,14H2,1-4H3,(H,15,17)
InChIKeyFUQIZPIPXPAOKB-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.71
Rot. Bonds6

About ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate

ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate (PubChem CID 103419240) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
PubChem CID103419240
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Nameethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(N(CC)CC)c(C(=O)NC)c1N
InChIInChI=1S/C13H21N3O3S/c1-5-16(6-2)12-8(11(17)15-4)9(14)10(20-12)13(18)19-7-3/h5-7,14H2,1-4H3,(H,15,17)
InChIKeyFUQIZPIPXPAOKB-UHFFFAOYSA-N
XLogP1.71
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-amino-4-carbamoyl-5-[ethyl(propyl)amino]thiophene-2-carboxylate
CID 103421055
methyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103420870
3-amino-2-N-ethyl-5-[ethyl(propyl)amino]-4-N-methylthiophene-2,4-dicarboxamide
CID 103421012
2-O-ethyl 4-O-methyl 3-amino-5-(dimethylamino)thiophene-2,4-dicarboxylate
CID 103420166
ethyl 3-amino-5-(cyclopropylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103423708
ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate
CID 103421006
ethyl 3-amino-5-(2,2-difluoroethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103505715
ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate
CID 103422466
ethyl 3-amino-4-(methylcarbamoyl)-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxylate
CID 103526093
3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide
CID 103419175
ethyl 5-amino-3-tert-butyl-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 64892023
ethyl 4-amino-2-(dimethylamino)-5-(propylcarbamoyl)thiophene-3-carboxylate
CID 103420145

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate (CID 103419240) is ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate is CCOC(=O)c1sc(N(CC)CC)c(C(=O)NC)c1N.
What is the InChIKey of ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate?
The InChIKey is FUQIZPIPXPAOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-5-16(6-2)12-8(11(17)15-4)9(14)10(20-12)13(18)19-7-3/h5-7,14H2,1-4H3,(H,15,17).
What are the key properties of ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate?
ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate has a molecular weight of 299.40 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 103419240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).